Chemical Properties of Sec-butylcrotonate (CAS 44917-51-3)

Sec-butylcrotonate

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InChI
InChI=1S/C8H14O2/c1-4-6-8(9)10-7(3)5-2/h4,6-7H,5H2,1-3H3
InChI Key
KAKJZWSUVDRWQU-UHFFFAOYSA-N
Formula
C8H14O2
SMILES
CC=CC(=O)OC(C)CC
Molecular Weight1
142.20
CAS
44917-51-3
Sources

Physical Properties

Property Value Unit Source
Δf -139.66 kJ/mol Joback Calculated Property
Δfgas -425.00 ± 2.00 kJ/mol NIST
Δfliquid -474.00 ± 2.00 kJ/mol NIST
Δfus 15.94 kJ/mol Joback Calculated Property
Δvap 49.00 ± 1.00 kJ/mol NIST
Δvap 49.00 kJ/mol NIST
logPoct/wat 1.90 Crippen Calculated Property
Pc 2829.33 kPa Joback Calculated Property
Tboil 462.45 K Joback Calculated Property
Tc 649.84 K Joback Calculated Property
Tfus 232.00 K Joback Calculated Property
Vc 0.48 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 263.44 J/mol×K 462.45 Joback Calculated Property
η 0.00 Pa×s 462.45 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

2-Butenoic acid, 1-methylpropyl ester, (E)-. 2-Propenoic acid, 1-methylpropyl ester. 2-Butenedioic acid (z)-, bis(1-methylpropyl) ester. Fumaric acid, butyl 2-butyl ester. 3-Methyl-2-butenoic acid, 2-pentyl ester. 3-Methylbut-2-enoic acid, 3-methylbut-2-yl ester. Fumaric acid, 2-butyl isobutyl ester. 2-Butenoic acid, 1-methylethyl ester. (E)-2-Butenoic acid propyl ester. Fumaric acid, pent-4-en-2-yl propyl ester. Fumaric acid, 2-butyl pentyl ester. Fumaric acid, di(pent-4-en-2-yl) ester. Fumaric acid, isobutyl 3-methylbut-2-yl ester. Fumaric acid, di(3-methylbut-2-yl) ester. Fumaric acid, 3-methylbut-2-yl propyl ester.

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