Chemical Properties of Propanoic acid, propyl ester (CAS 106-36-5)

Propanoic acid, propyl ester

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InChI
InChI=1S/C6H12O2/c1-3-5-8-6(7)4-2/h3-5H2,1-2H3
InChI Key
MCSINKKTEDDPNK-UHFFFAOYSA-N
Formula
C6H12O2
SMILES
CCCOC(=O)CC
Molecular Weight1
116.16
CAS
106-36-5
Other Names
  • NSC 72022
  • Propionic acid n-propyl ester
  • Propionic acid, propyl ester
  • Propyl ester of propanoic acid
  • Propyl propanoate
  • Propyl propionate
  • Propylester kyseliny propionove
  • n-Propyl n-propanoate
  • n-Propyl n-propionate
  • n-Propyl propanoate
  • n-Propyl propionate
Sources

Physical Properties

Property Value Unit Source
Δcliquid -3545.00 kJ/mol NIST
Δf -234.28 kJ/mol Joback Calculated Property
Δfgas -411.97 kJ/mol Joback Calculated Property
Δfus 14.08 kJ/mol Joback Calculated Property
Δvap 43.48 kJ/mol NIST
Δvap 35.60 ± 0.01 kJ/mol NIST
IE 9.96 eV NIST
logPoct/wat 1.350 Crippen Calculated Property
Pc 3060.00 ± 30.00 kPa NIST
Tboil [394.15; 397.90] K Show Hide
Tboil 395.70 K NIST
Tboil 395.60 K NIST
Tboil 396.35 ± 0.50 K NIST
Tboil 396.15 ± 0.50 K NIST
Tboil 395.60 ± 1.00 K NIST
Tboil 395.30 ± 0.50 K NIST
Tboil 395.80 ± 0.30 K NIST
Tboil Outlier 394.15 ± 1.00 K NIST
Tboil 396.60 ± 0.30 K NIST
Tboil 395.80 ± 1.50 K NIST
Tboil 395.65 ± 1.00 K NIST
Tboil 395.59 ± 2.00 K NIST
Tboil Outlier 397.90 ± 1.00 K NIST
Tc [563.70; 578.00] K Show Hide
Tc 571.00 ± 1.00 K NIST
Tc 568.60 ± 0.60 K NIST
Tc 578.00 K NIST
Tc 563.70 ± 6.00 K NIST
Tc 578.00 ± 8.00 K NIST
Tfus 197.30 ± 0.30 K NIST
Vc 0.396 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 199.87 J/mol×K 412.97 Joback Calculated Property
Cp,liquid 226.65 J/mol×K 298.15 NIST
Cp,liquid 229.00 J/mol×K 298.38 NIST
η 0.0002727 Pa×s 412.97 Joback Calculated Property
ΔvapH [35.54; 43.10] kJ/mol [313.00; 395.60] Show Hide
Plot of Enthalpy of vaporization at a given temperature.
ΔvapH 42.10 ± 0.10 kJ/mol 313.0 NIST
ΔvapH 43.10 kJ/mol 327.5 NIST
ΔvapH 41.10 ± 0.10 kJ/mol 328.0 NIST
ΔvapH 40.00 ± 0.10 kJ/mol 343.0 NIST
ΔvapH 38.80 ± 0.10 kJ/mol 358.0 NIST
ΔvapH 39.90 kJ/mol 365.0 NIST
ΔvapH 37.60 kJ/mol 392.0 NIST
ΔvapH 35.54 kJ/mol 395.6 NIST

Molecular Descriptors

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

Similar Compounds

Propanoic acid, anhydride. Propanoic acid, ethyl ester. Propyl 3-hydroxybutanoate. Propanoic acid, butyl ester. Acetic propanoic anhydride. Butanoic acid, propyl ester. Propanoic acid, 2-methylpropyl ester. 1-Propanol, 3-chloro, propanoate. Acetic acid, propyl ester. N-Propyl iso-butyrate. 3-Buten-1-ol, propanoate. Butanoic acid, ethyl ester. Propanoic acid, 3-chloro-, propyl ester. Butanoic acid, butyl ester. Amyl propionate.

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