Chemical Properties of Propanoic acid, methyl ester (CAS 554-12-1)

Propanoic acid, methyl ester

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InChI
InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3
InChI Key
RJUFJBKOKNCXHH-UHFFFAOYSA-N
Formula
C4H8O2
SMILES
CCC(=O)OC
Molecular Weight1
88.11
CAS
554-12-1
Other Names
  • C2H5COOCH3
  • Methyl ester of propanoic acid
  • Methyl propanoate
  • Methyl propylate
  • Methylester kyseliny propionove
  • NSC 9375
  • Propanoic acid, methyl ester
  • Propionate de methyle
  • Propionic acid, methyl ester
  • UN 1248
Sources

Physical Properties

Property Value Unit Source
PAff 830.20 kJ/mol NIST
BasG 799.20 kJ/mol NIST
Δcliquid -2246.00 kJ/mol NIST
Δf -251.12 kJ/mol Joback Calculated Property
Δfgas -370.69 kJ/mol Joback Calculated Property
Δfus 8.90 kJ/mol Joback Calculated Property
Δvap [32.30; 35.95] kJ/mol Show Hide
Δvap 35.95 kJ/mol NIST
Δvap 34.50 ± 4.20 kJ/mol NIST
Δvap 35.82 ± 0.09 kJ/mol NIST
Δvap 32.30 ± 0.02 kJ/mol NIST
IE [9.90; 10.30] eV Show Hide
IE 10.15 ± 0.03 eV NIST
IE 10.15 eV NIST
IE 9.90 ± 0.20 eV NIST
IE 10.15 eV NIST
IE 10.15 ± 0.03 eV NIST
IE 10.30 eV NIST
logPoct/wat 0.57 Crippen Calculated Property
Pc [4004.00; 4041.00] kPa Show Hide
Pc 4004.00 ± 101.32 kPa NIST
Pc 4005.00 ± 40.00 kPa NIST
Pc 4041.00 ± 101.32 kPa NIST
Pc 4041.00 ± 101.32 kPa NIST
Tboil [351.15; 353.70] K Show Hide
Tboil 351.65 ± 0.30 K NIST
Tboil 353.10 K NIST
Tboil 352.90 K NIST
Tboil 352.85 ± 0.20 K NIST
Tboil 352.53 ± 0.50 K NIST
Tboil 352.91 ± 0.50 K NIST
Tboil 352.15 ± 2.00 K NIST
Tboil 352.65 ± 1.00 K NIST
Tboil 352.70 ± 0.60 K NIST
Tboil 353.65 ± 2.00 K NIST
Tboil 353.15 ± 1.00 K NIST
Tboil Outlier 351.15 ± 10.00 K NIST
Tboil 353.15 ± 1.00 K NIST
Tboil 353.00 ± 2.00 K NIST
Tboil 352.00 ± 2.00 K NIST
Tboil 353.00 ± 0.50 K NIST
Tboil 352.95 ± 1.00 K NIST
Tboil 353.03 ± 0.50 K NIST
Tboil 352.15 ± 1.00 K NIST
Tboil 353.70 ± 0.30 K NIST
Tboil 352.85 ± 0.50 K NIST
Tboil 352.80 ± 0.50 K NIST
Tboil 352.80 ± 0.50 K NIST
Tboil 352.85 ± 0.50 K NIST
Tboil 352.70 ± 1.00 K NIST
Tc [528.90; 535.90] K Show Hide
Tc 530.60 K NIST
Tc 530.60 ± 1.00 K NIST
Tc 530.50 ± 1.00 K NIST
Tc 528.90 ± 2.00 K NIST
Tc 534.20 ± 4.00 K NIST
Tc 528.90 ± 2.00 K NIST
Tc 535.90 ± 4.00 K NIST
Tfus 185.65 ± 0.50 K NIST
Vc 0.28 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 129.57 J/mol×K 367.21 Joback Calculated Property
Cp,liquid [171.20; 175.90] J/mol×K [298.15; 301.45] Show Hide
Plot of Liquid phase heat capacity.
Cp,liquid 171.21 J/mol×K 298.15 NIST
Cp,liquid 172.74 J/mol×K 298.15 NIST
Cp,liquid 171.20 J/mol×K 298.15 NIST
Cp,liquid 174.20 J/mol×K 298.15 NIST
Cp,liquid 175.90 J/mol×K 298.38 NIST
Cp,liquid 174.60 J/mol×K 301.45 NIST
η 0.00 Pa×s 367.21 Joback Calculated Property
ΔvapH 32.24 kJ/mol 352.9 NIST

Molecular Descriptors

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

Similar Compounds

Propanoic acid, 3-hydroxy-, methyl ester. Propanoic acid, ethyl ester. Methyl isobutyrate. Butanoic acid, methyl ester. .beta.-Propiolactone. Methyl 3-butenoate. Propanoic acid, 3-chloro-, methyl ester. Propanoic acid, ethenyl ester. Propanoic acid, 3-mercapto-, methyl ester. Propanoic acid, 3-bromo-, methyl ester. Acetic acid, cyano-, methyl ester. Propanoic acid, 3-methoxy-, methyl ester. Propanoic acid, propyl ester. Lithium propionate. Propanoic acid.

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.