Chemical Properties of Isopentyl 2-butenoate (CAS 25415-77-4)

Isopentyl 2-butenoate

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InChI
InChI=1S/C9H16O2/c1-4-5-9(10)11-7-6-8(2)3/h4-5,8H,6-7H2,1-3H3/b5-4+
InChI Key
JAVOYFHBJFLMRQ-SNAWJCMRSA-N
Formula
C9H16O2
SMILES
CC=CC(=O)OCCC(C)C
Molecular Weight1
156.22
CAS
25415-77-4
Other Names
  • (E)-2-Butenoic acid 3-methylbutyl ester
  • 2-Butenoic acid, 3-methyl, butyl ester
  • Isopentyl 2-butenoate
Sources

Physical Properties

Property Value Unit Source
Δcliquid -5327.50 ± 2.90 kJ/mol NIST
Δf -131.24 kJ/mol Joback Calculated Property
Δfgas -447.00 ± 3.00 kJ/mol NIST
Δfliquid -501.00 ± 3.00 kJ/mol NIST
Δfus 18.53 kJ/mol Joback Calculated Property
Δvap 54.00 ± 1.00 kJ/mol NIST
Δvap 54.00 kJ/mol NIST
logPoct/wat 2.15 Crippen Calculated Property
Pc 2561.10 kPa Joback Calculated Property
Tboil 485.33 K Joback Calculated Property
Tc 670.77 K Joback Calculated Property
Tfus 243.27 K Joback Calculated Property
Vc 0.54 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 306.21 J/mol×K 485.33 Joback Calculated Property
η 0.00 Pa×s 485.33 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

2-Butenoic acid, butyl ester. 2-Butenoic acid, 3-methyl-, 3-methylbutyl ester. 2-Propenoic acid, 3-methylbutyl ester. 2-Butenoic acid, pentyl ester. 2-Butenoic acid, isohexyl ester. 2-Pentenoic acid butyl ester. hexyl (E)-2-butenoate. 2-Butenoic acid, hexyl ester. 2-Butenoic acid, 3-methyl-, butyl ester. (E)-2-Butenoic acid propyl ester. 2-Butenoic acid, octadecyl ester. Crotonic acid, octyl ester, trans-. 2-Butenoic acid, dodecyl ester. Butyl sorbate. 2-Propenoic acid, butyl ester.

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