Chemical Properties of 2-Heptenoic acid (CAS 18999-28-5)

2-Heptenoic acid

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InChI
InChI=1S/C7H12O2/c1-2-3-4-5-6-7(8)9/h5-6H,2-4H2,1H3,(H,8,9)/b6-5+
InChI Key
YURNCBVQZBJDAJ-AATRIKPKSA-N
Formula
C7H12O2
SMILES
CCCCC=CC(=O)O
Molecular Weight1
128.17
CAS
18999-28-5
Other Names
  • Ethyl 2-heptenoate
  • hept-2-enoic acid
Sources

Physical Properties

Property Value Unit Source
Δf -177.46 kJ/mol Joback Calculated Property
Δfgas -335.40 kJ/mol Joback Calculated Property
Δfus 19.78 kJ/mol Joback Calculated Property
Δvap 54.56 kJ/mol Joback Calculated Property
logPoct/wat 1.82 Crippen Calculated Property
Pc 3530.46 kPa Joback Calculated Property
Tboil 499.70 K NIST
Tc 687.17 K Joback Calculated Property
Tfus 274.32 K Joback Calculated Property
Vc 0.43 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 247.53 J/mol×K 509.77 Joback Calculated Property
η 0.00 Pa×s 509.77 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-OH (alcohol) 1
-CH3 1
-CH2- 3
=CH- 2
>C=O (nonring) 1

Similar Compounds

2-Octenoic acid, (E)-. 2-Octenoic acid, cis-. 2-Octenoic acid. Alpha-nonenoic acid. 2-Hexenoic acid, (E)-. 2-Hexenoic acid. 2-Decenoic acid. trans-2-Decenoic acid. Trans-2-undecenoic acid. 2-Dodecenoic acid. 2-Octenoic acid, methyl ester, (E)-. 2-Octenoic acid, methyl ester. trans-2-Pentenoic acid. 2-Pentenoic acid. 2-Nonenoic acid, methyl ester.

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