2-Methylheptane

2-Methylheptane
Names
	Preferred IUPAC name 2-Methylheptane
Identifiers
CAS Number	592-27-8 ;
3D model (JSmol)	Interactive image;
Beilstein Reference	1696862
ChEBI	CHEBI:88849 ;
ChemSpider	11106 ;
ECHA InfoCard	100.008.863
EC Number	209-747-9;
PubChem CID	11594;
UNII	YU6SU8CCVB ;
UN number	1262
CompTox Dashboard (EPA)	DTXSID2060460 ;
	InChI InChI=1S/C8H18/c1-4-5-6-7-8(2)3/h8H,4-7H2,1-3H3 Key: JVSWJIKNEAIKJW-UHFFFAOYSA-N ;
	SMILES CCCCCC(C)C;
Properties
Chemical formula	C8H18
Molar mass	114.232 g·mol−1
Appearance	Colourless liquid
Odor	Odourless
Density	698 mg mL−1
Melting point	−112 to −108 °C; −170 to −163 °F; 161 to 165 K
Boiling point	116.8 to 118.4 °C; 242.2 to 245.0 °F; 389.9 to 391.5 K
Vapor pressure	5.3 kPa (at 37.7 °C)
Henry's law; constant (kH)	2.7 nmol Pa−1 kg−1
Refractive index (nD)	1.395–1.396
Thermochemistry
Heat capacity (C)	252.00 J K−1 mol−1
Std molar; entropy (S⦵298)	356.39 J K−1 mol−1
Std enthalpy of; formation (ΔfH⦵298)	−256.5–−253.9 kJ mol−1
Std enthalpy of; combustion (ΔcH⦵298)	−5466.7–−5464.3 kJ mol−1
Hazards
	GHS labelling:
Pictograms
Signal word	Danger
Hazard statements	H225, H304, H315, H336, H410
Precautionary statements	P210, P261, P273, P301+P310, P331
NFPA 704 (fire diamond)	0 3 0
Flash point	4.4 °C (39.9 °F; 277.5 K)
Explosive limits	0.98–?%
Related compounds
Related alkanes	2-Methylhexane; 3-Methylhexane; 3-Methylheptane;
Related compounds	Valnoctamide; 2-Ethylhexanol; Valpromide; 2-Ethylhexanoic acid; Propylheptyl alcohol;
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). verify (what is ?) Infobox references

2-Methylheptane is a branched-chain alkane and an isomer of octane. It is an heptane molecule with a methyl group attached to its second atom. It is a flammable colorless liquid used as fuel.^[2]

If the standard definition of the prefix "iso-" is strictly used then 2-methylheptane can be called "Isooctane". However this name is usually used for another much more important isomer of octane 2,2,4-trimethylpentane.^[3]

References

External links

[2]

[1]

[3]

Names


Preferred IUPAC name 2-Methylheptane^[1]
Identifiers
CAS Number	592-27-8^Y
3D model (JSmol)	Interactive image
Beilstein Reference	1696862
ChEBI	CHEBI:88849^N
ChemSpider	11106^Y
ECHA InfoCard	100.008.863
EC Number	209-747-9
PubChem CID	11594
UNII	YU6SU8CCVB^Y
UN number	1262
CompTox Dashboard (EPA)	DTXSID2060460
InChI InChI=1S/C8H18/c1-4-5-6-7-8(2)3/h8H,4-7H2,1-3H3^Y Key: JVSWJIKNEAIKJW-UHFFFAOYSA-N^Y
SMILES CCCCCC(C)C
Properties
Chemical formula	C₈H₁₈
Molar mass	114.232 g·mol⁻¹
Appearance	Colourless liquid
Odor	Odourless
Density	698 mg mL⁻¹
Melting point	−112 to −108 °C; −170 to −163 °F; 161 to 165 K
Boiling point	116.8 to 118.4 °C; 242.2 to 245.0 °F; 389.9 to 391.5 K
Vapor pressure	5.3 kPa (at 37.7 °C)
Henry's law constant (k_H)	2.7 nmol Pa⁻¹ kg⁻¹
Refractive index (n_D)	1.395–1.396
Thermochemistry
Heat capacity (C)	252.00 J K⁻¹ mol⁻¹
Std molar entropy (S^⦵₂₉₈)	356.39 J K⁻¹ mol⁻¹
Std enthalpy of formation (Δ_fH^⦵₂₉₈)	−256.5–−253.9 kJ mol⁻¹
Std enthalpy of combustion (Δ_cH^⦵₂₉₈)	−5466.7–−5464.3 kJ mol⁻¹
Hazards
GHS labelling:
Pictograms
Signal word	Danger
Hazard statements	H225, H304, H315, H336, H410
Precautionary statements	P210, P261, P273, P301+P310, P331
NFPA 704 (fire diamond)	0 3 0
Flash point	4.4 °C (39.9 °F; 277.5 K)
Explosive limits	0.98–?%
Related compounds
Related alkanes	2-Methylhexane 3-Methylhexane 3-Methylheptane
Related compounds	Valnoctamide 2-Ethylhexanol Valpromide 2-Ethylhexanoic acid Propylheptyl alcohol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). N verify (what is ^YN ?) Infobox references