Molecular Structure of Decenoic acid (CAS NO.72881-27-7):
IUPAC Name: (E)-Dec-2-enoic acid
Canonical SMILES: CCCCCCCC=CC(=O)O
Isomeric SMILES: CCCCCCC/C=C/C(=O)O
InChI: InChI=1S/C10H18O2/c1-2-3-4-5-6-7-8-9-10(11)12/h8-9H,2-7H2,1H3,(H,11,12)/b9-8+
InChIKey: WXBXVVIUZANZAU-CMDGGOBGSA-N
Molecular Weight: 170.24872 [g/mol]
Molecular Formula: C10H18O2
XLogP3-AA: 3.8
H-Bond Donor: 1
H-Bond Acceptor: 2
Index of Refraction: 1.462
Molar Refractivity: 49.99 cm3
Molar Volume: 181.8 cm3
Surface Tension: 33.9 dyne/cm
Density: 0.936 g/cm3
Flash Point: 185 °C
Enthalpy of Vaporization: 56.92 kJ/mol
Boiling Point: 278.6 °C at 760 mmHg
Vapour Pressure: 0.00113 mmHg at 25 °C
Product Categories: acid Flavor
Decenoic acid (CAS NO.72881-27-7), its Synonyms are 5(6)-Decenoic acid ; 5- and 6-Decenoic acid ; FEMA No. 3742 ; Milk lactone ; 5-(6)-Decenoic acids mixture .
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