Chemical Properties of Acetic acid, 2-propenyl ester (CAS 591-87-7)

Acetic acid, 2-propenyl ester

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InChI
InChI=1S/C5H8O2/c1-3-4-7-5(2)6/h3H,1,4H2,2H3
InChI Key
FWZUNOYOVVKUNF-UHFFFAOYSA-N
Formula
C5H8O2
SMILES
C=CCOC(C)=O
Molecular Weight1
100.12
CAS
591-87-7
Other Names
  • 2-Propenyl acetate
  • 2-Propenyl ester of acetic acid
  • 2-Propenyl ethanoate
  • 3-Acetoxy-1-propene
  • 3-Acetoxypropene
  • Acetic acid, 2-propen-1-yl ester
  • Acetic acid, 2-propenyl ester
  • Acetic acid, allyl ester
  • CH2=C(CH3)OC(=O)CH3
  • NSC 7612
  • UN 2333
Sources

Physical Properties

Property Value Unit Source
Δf -154.86 kJ/mol Joback Calculated Property
Δfgas -265.90 kJ/mol Joback Calculated Property
Δfus 10.21 kJ/mol Joback Calculated Property
Δvap 35.21 kJ/mol Joback Calculated Property
IE 9.80 eV NIST
IE 9.81 eV NIST
IE 9.74 ± 0.05 eV NIST
logPoct/wat 0.74 Crippen Calculated Property
Pc 3857.88 kPa Joback Calculated Property
Tboil 376.70 K NIST
Tboil 378.00 K NIST
Tboil 377.70 ± 1.00 K NIST
Tc 569.17 K Joback Calculated Property
Tfus 216.51 K Joback Calculated Property
Vc 0.32 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 149.35 J/mol×K 386.77 Joback Calculated Property
Cp,liquid 184.10 J/mol×K 298.0 NIST
η 0.00 Pa×s 386.77 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

2-Propenoic acid, 2-propenyl ester. 2-Buten-1-ol, acetate. 2-Propenoic acid, ethyl ester. Ethyl acetate. Propanoic acid, 2-propenyl ester. Allyl bromoacetate. Allyl bromoacetate. Formic acid, 2-propenyl ester. 2-Propenoic acid, methyl ester. cis-1,4-Diacetoxy-2-butene. 2-Butene-1,4-diol, diacetate. Chloroacetic acid allyl ester. 1-Methylallyl acetate. 2-Propen-1-ol, 2-methyl-, acetate. 2(5H)-Furanone.

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