3-Methylhexane is a branched hydrocarbon with two enantiomers.[2] It is one of the isomers of heptane.
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Names | |
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Preferred IUPAC name 3-Methylhexane[1] | |
Identifiers | |
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3D model (JSmol) | |
1718739 | |
ChEBI | |
ChEMBL | |
ChemSpider | |
ECHA InfoCard | 100.008.768 |
EC Number |
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PubChem CID | |
UNII |
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UN number | 1206 |
CompTox Dashboard (EPA) | |
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Properties | |
C7H16 | |
Molar mass | 100.205 g·mol−1 |
Appearance | Colorless liquid |
Odor | Odorless |
Density | 686 mg mL−1 |
Melting point | −119.40 °C; −182.92 °F; 153.75 K |
Boiling point | 91.6 to 92.2 °C; 196.8 to 197.9 °F; 364.7 to 365.3 K |
log P | 4.118 |
Vapor pressure | 14.7 kPa (at 37.7 °C) |
Henry's law constant (kH) | 3.2 nmol Pa−1 kg−1 |
Refractive index (nD) | 1.388–1.389 |
Thermochemistry | |
Heat capacity (C) | 216.7 J K−1 mol−1 (at −9.0 °C) |
Std molar entropy (S⦵298) | 309.6 J K−1 mol−1 |
Std enthalpy of formation (ΔfH⦵298) | −228.7–−226.1 kJ mol−1 |
Std enthalpy of combustion (ΔcH⦵298) | −4.8151–−4.8127 MJ mol−1 |
Hazards | |
GHS labelling: | |
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Danger | |
H225, H304, H315, H336, H411 | |
P210, P233, P240, P241, P242, P243, P261, P264, P271, P273, P280, P301+P310, P302+P352, P303+P361+P353, P304+P340, P312, P321, P331, P332+P313, P362, P370+P378, P391, P403+P233, P403+P235, P405, P501 | |
Flash point | −1.0 °C (30.2 °F; 272.1 K) |
280 °C (536 °F; 553 K) | |
Explosive limits | 1–7% |
Related compounds | |
Related alkanes | |
Related compounds | |
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). |
The molecule is chiral, and is one of the two isomers of heptane to have this property, the other being its structural isomer 2,3-dimethylpentane. The enantiomers are (R)-3-methylhexane[3] and (S)-3-methylhexane.[4]
References
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