Chemical Properties of Formic acid, propyl ester (CAS 110-74-7)

Formic acid, propyl ester

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InChI
InChI=1S/C4H8O2/c1-2-3-6-4-5/h4H,2-3H2,1H3
InChI Key
KFNNIILCVOLYIR-UHFFFAOYSA-N
Formula
C4H8O2
SMILES
CCCOC=O
Molecular Weight1
88.11
CAS
110-74-7
Other Names
  • Formiate de propyle
  • HCOOCH2CH2CH3
  • Propyl ester of formic acid
  • Propyl formate
  • Propyl methanoate
  • Propylester kyseliny mravenci
  • UN 1281
  • n-Propyl formate
Sources

Physical Properties

Property Value Unit Source
PAff 804.90 kJ/mol NIST
BasG 773.90 kJ/mol NIST
Δcsolid -2217.00 ± 42.00 kJ/mol NIST
Δf -221.72 kJ/mol Joback Calculated Property
Δfgas -343.69 kJ/mol Joback Calculated Property
Δfsolid -500.00 ± 42.00 kJ/mol NIST
Δfus 9.59 kJ/mol Joback Calculated Property
Δvap 37.61 kJ/mol NIST
Δvap 37.50 ± 0.10 kJ/mol NIST
Δvap 32.50 ± 0.04 kJ/mol NIST
IE [10.30; 10.62] eV Show Hide
IE 10.54 ± 0.05 eV NIST
IE Outlier 10.30 ± 0.20 eV NIST
IE 10.50 ± 0.05 eV NIST
IE 10.50 eV NIST
IE 10.62 eV NIST
IE 10.54 ± 0.01 eV NIST
logPoct/wat 0.57 Crippen Calculated Property
Pc 4061.00 ± 60.79 kPa NIST
Pc 4061.00 ± 40.00 kPa NIST
Pc 4330.00 ± 303.98 kPa NIST
Tboil [353.95; 354.50] K Show Hide
Tboil Outlier 354.50 K NIST
Tboil 354.00 K NIST
Tboil 354.05 ± 0.20 K NIST
Tboil 354.00 ± 0.10 K NIST
Tboil 354.15 ± 2.00 K NIST
Tboil 354.00 ± 0.50 K NIST
Tboil 354.00 ± 0.50 K NIST
Tboil 354.10 ± 0.40 K NIST
Tboil 353.95 ± 1.00 K NIST
Tboil 354.10 ± 1.00 K NIST
Tboil 354.40 ± 0.30 K NIST
Tboil 354.05 ± 0.50 K NIST
Tboil 354.00 ± 1.00 K NIST
Tboil 354.05 ± 0.50 K NIST
Tboil 354.40 ± 0.70 K NIST
Tboil 354.00 ± 2.00 K NIST
Tboil 354.15 ± 2.00 K NIST
Tc [533.70; 538.00] K Show Hide
Tc 538.00 K NIST
Tc 538.00 ± 1.00 K NIST
Tc 538.00 ± 1.00 K NIST
Tc 533.70 ± 4.00 K NIST
Tc 534.00 ± 4.00 K NIST
Tfus 180.30 ± 0.40 K NIST
Vc 0.29 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 132.08 J/mol×K 362.0 Joback Calculated Property
Cp,liquid 172.10 J/mol×K 298.15 NIST
Cp,liquid 171.42 J/mol×K 298.15 NIST
Cp,liquid 172.07 J/mol×K 298.15 NIST
η 0.00 Pa×s 362.0 Joback Calculated Property
ΔvapH [32.70; 36.80] kJ/mol [292.50; 436.00] Show Hide
Plot of Enthalpy of vaporization at a given temperature.
ΔvapH 36.80 kJ/mol 292.5 NIST
ΔvapH 36.50 ± 0.10 kJ/mol 313.0 NIST
ΔvapH 35.80 ± 0.10 kJ/mol 326.0 NIST
ΔvapH 35.60 kJ/mol 327.0 NIST
ΔvapH 35.30 kJ/mol 327.5 NIST
ΔvapH 35.40 ± 0.10 kJ/mol 331.0 NIST
ΔvapH 34.40 ± 0.10 kJ/mol 344.0 NIST
ΔvapH 33.80 ± 0.10 kJ/mol 351.0 NIST
ΔvapH 33.61 kJ/mol 354.0 NIST
ΔvapH 33.50 ± 0.10 kJ/mol 355.0 NIST
ΔvapH 32.90 ± 0.10 kJ/mol 363.0 NIST
ΔvapH 32.70 kJ/mol 436.0 NIST

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-CH2- 2
-CH3 1
O=CH- (aldehyde) 1

Similar Compounds

Formic acid, butyl ester. 2-Methylpropyl formate. Ethyl formate. Acetic acid, propyl ester. Sec butylformate. Formic acid, 1-methylethyl ester. Formic acid, neopentyl ester. Formic acid, pentyl ester. Methyl propyl ether. 1-Butanol, 3-methyl-, formate. Propanoic acid, methyl ester. n-Propylchloroformate. 1,2-Ethanediol, monoformate. Acetic acid, anhydride with formic acid. Formic acid, hexyl ester.

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