Basic information
- Name:
Methyl 2-hexenoate
- CAS No.:
2396-77-2
- Molecular Structure:
- Formula:
- C7H12O2
- Molecular Weight:
- 128.17
- Synonyms:
- 3-Propylacrylicacid methyl ester;2-Hexenoic acid, methylester;Methyl 3-propylacrylate;
- Density:
- 0.908 g/cm3
- Boiling Point:
- 149.3 °C at 760 mmHg
- Flash Point:
- 45.4 °C
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Chemistry
Molecule structure of Methyl 2-hexenoate (CAS NO.2396-77-2):
IUPAC Name: Methyl hex-2-enoate
Molecular Weight: 128.16898 g/mol
Molecular Formula: C7H12O2
Density: 0.907 g/cm3
Boiling Point: 149.3 °C at 760 mmHg
Flash Point: 45.4 °C
Index of Refraction: 1.427
Molar Refractivity: 36.31 cm3
Molar Volume: 141.1 cm3
Surface Tension: 27.2 dyne/cm
Enthalpy of Vaporization: 38.62 kJ/mol
Vapour Pressure: 4.06 mmHg at 25 °C
XLogP3-AA: 1.9
H-Bond Acceptor: 2
Rotatable Bond Count: 4
Exact Mass: 128.08373
MonoIsotopic Mass: 128.08373
Topological Polar Surface Area: 26.3
Heavy Atom Count: 9
Canonical SMILES: CCCC=CC(=O)OC
InChI: InChI=1S/C7H12O2/c1-3-4-5-6-7(8)9-2/h5-6H,3-4H2,1-2H3
InChIKey of Methyl 2-hexenoate (CAS NO.2396-77-2): GFUGBRNILVVWIE-UHFFFAOYSA-N
Specification
Methyl 2-hexenoate (CAS NO.2396-77-2) is also named as 2-Hexenoic acid, methyl ester ; AI3-36590 ; FEMA No. 2709 ; Methyl beta-propylacrylate .