Chemical Properties of Methyl formate (CAS 107-31-3)

Methyl formate

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InChI
InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3
InChI Key
TZIHFWKZFHZASV-UHFFFAOYSA-N
Formula
C2H4O2
SMILES
COC=O
Molecular Weight1
60.05
CAS
107-31-3
Other Names
  • Formiate de methyle
  • Formic acid, methyl ester
  • HCOOCH3
  • Methanoic acid methyl ester
  • Methyl ester of formic acid
  • Methyl methanoate
  • Methylester kyseliny mravenci
  • Methylformiaat
  • Methylformiat
  • Mravencan methylnaty
  • UN 1243
Sources

Physical Properties

Property Value Unit Source
PAff 782.50 kJ/mol NIST
BasG 751.50 kJ/mol NIST
Δcliquid -972.61 ± 0.59 kJ/mol NIST
Δf -238.56 kJ/mol Joback Calculated Property
Δfgas [-362.00; -336.90] kJ/mol Show Hide
Δfgas -336.90 kJ/mol NIST
Δfgas -349.00 kJ/mol NIST
Δfgas -362.00 kJ/mol NIST
Δfgas -355.50 kJ/mol NIST
Δfliquid [-391.00; -365.90] kJ/mol Show Hide
Δfliquid -365.90 kJ/mol NIST
Δfliquid -378.00 kJ/mol NIST
Δfliquid -391.00 kJ/mol NIST
Δfliquid -386.10 kJ/mol NIST
Δfus 4.41 kJ/mol Joback Calculated Property
Δvap [28.20; 30.60] kJ/mol Show Hide
Δvap 28.60 kJ/mol NIST
Δvap 28.40 kJ/mol NIST
Δvap 29.00 kJ/mol NIST
Δvap 30.60 kJ/mol NIST
Δvap 30.60 kJ/mol NIST
Δvap 28.20 ± 0.04 kJ/mol NIST
IE [10.30; 11.00] eV Show Hide
IE 10.84 eV NIST
IE 10.84 eV NIST
IE 10.70 eV NIST
IE 10.99 eV NIST
IE 10.85 ± 0.05 eV NIST
IE 10.85 eV NIST
IE 10.81 ± 0.01 eV NIST
IE 11.00 eV NIST
IE 10.85 eV NIST
IE Outlier 10.30 eV NIST
logPoct/wat -0.21 Crippen Calculated Property
Pc 6004.00 ± 60.79 kPa NIST
Pc 6007.50 ± 40.00 kPa NIST
Pc 6247.00 ± 202.65 kPa NIST
Tboil [304.65; 307.20] K Show Hide
Tboil Outlier 307.20 K NIST
Tboil 304.70 K NIST
Tboil 304.70 K NIST
Tboil 304.65 ± 0.20 K NIST
Tboil 304.82 ± 2.00 K NIST
Tboil 305.05 ± 2.00 K NIST
Tboil 304.65 ± 2.00 K NIST
Tboil 304.90 ± 0.50 K NIST
Tboil 305.15 ± 2.00 K NIST
Tboil 304.65 ± 2.00 K NIST
Tboil 305.00 ± 0.30 K NIST
Tboil 304.85 ± 2.00 K NIST
Tboil 304.90 ± 0.30 K NIST
Tboil 304.90 ± 0.30 K NIST
Tboil 305.05 ± 2.00 K NIST
Tboil 305.65 ± 2.00 K NIST
Tboil 304.95 ± 1.00 K NIST
Tboil 305.40 ± 2.00 K NIST
Tboil 306.55 ± 2.00 K NIST
Tboil 306.55 ± 2.00 K NIST
Tc [485.20; 523.70] K Show Hide
Tc 487.20 K NIST
Tc 487.20 ± 1.00 K NIST
Tc 487.20 ± 1.00 K NIST
Tc 523.70 ± 20.00 K NIST
Tc 485.20 ± 2.00 K NIST
Tfus 173.20 ± 2.00 K NIST
Tfus 173.40 ± 0.30 K NIST
Vc 0.18 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 73.11 J/mol×K 316.24 Joback Calculated Property
Cp,liquid [95.50; 130.00] J/mol×K [288.00; 298.75] Show Hide
Plot of Liquid phase heat capacity.
Cp,liquid 121.30 J/mol×K 288.0 NIST
Cp,liquid 95.50 J/mol×K 297.0 NIST
Cp,liquid 130.00 J/mol×K 298.0 NIST
Cp,liquid 119.70 J/mol×K 298.15 NIST
Cp,liquid 120.57 J/mol×K 298.75 NIST
η 0.00 Pa×s 316.24 Joback Calculated Property
ΔvapH [27.40; 30.10] kJ/mol [283.00; 374.00] Show Hide
Plot of Enthalpy of vaporization at a given temperature.
ΔvapH 30.10 kJ/mol 283.0 NIST
ΔvapH 29.60 kJ/mol 292.0 NIST
ΔvapH 28.70 ± 0.10 kJ/mol 293.0 NIST
ΔvapH 27.92 kJ/mol 304.7 NIST
ΔvapH 27.90 ± 0.10 kJ/mol 305.0 NIST
ΔvapH 27.40 ± 0.10 kJ/mol 313.0 NIST
ΔvapH 28.40 kJ/mol 374.0 NIST

Molecular Descriptors

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

Similar Compounds

HCOOCH radical anion. Copper (II) formate tetrahydrate. Formic acid, sodium salt. thallium formate. Hydrocarboxyl radical. HCO2 anion. sodium formate. Rubidium formate. Lithium formate. Formic acid. Ethyl formate. Formic acid, ethenyl ester. Carbamic acid, methyl ester. Acetic acid, methyl ester. Carbonochloridic acid, methyl ester.

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