Chemical Properties of Carbonic acid, dimethyl ester (CAS 616-38-6)

Carbonic acid, dimethyl ester

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InChI
InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3
InChI Key
IEJIGPNLZYLLBP-UHFFFAOYSA-N
Formula
C3H6O3
SMILES
COC(=O)OC
Molecular Weight1
90.08
CAS
616-38-6
Other Names
  • CH3OCOOCH3
  • Dimethyl carbonate
  • Dimethyl ester of carbonic acid
  • Methyl carbonate
  • Methyl carbonate ((MeO)2CO)
  • UN 1161
Sources

Physical Properties

Property Value Unit Source
PAff 830.20 kJ/mol NIST
BasG 799.20 kJ/mol NIST
Δf -364.54 kJ/mol Joback Calculated Property
Δfgas -482.27 kJ/mol Joback Calculated Property
Δfus 7.50 kJ/mol Joback Calculated Property
Δvap 38.00 ± 0.20 kJ/mol NIST
Δvap 37.70 ± 0.20 kJ/mol NIST
IE 11.00 eV NIST
IE 11.20 eV NIST
IE 11.00 eV NIST
logPoct/wat 0.399 Crippen Calculated Property
Pc 4800.00 ± 150.00 kPa NIST
Pc 4800.00 ± 300.00 kPa NIST
Tboil [363.00; 363.70] K Show Hide
Tboil 363.60 ± 0.10 K NIST
Tboil 363.70 K NIST
Tboil Outlier 363.00 K NIST
Tboil 363.60 ± 0.40 K NIST
Tboil 363.60 ± 0.30 K NIST
Tboil 363.40 ± 0.40 K NIST
Tboil 363.50 ± 0.50 K NIST
Tboil 363.50 ± 0.50 K NIST
Tboil 363.50 ± 0.50 K NIST
Tc 557.00 ± 2.00 K NIST
Tc 557.00 ± 2.00 K NIST
Tfus 267.55 ± 0.50 K NIST
Vc 0.245 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 116.81 J/mol×K 366.75 Joback Calculated Property
η 0.0002465 Pa×s 366.75 Joback Calculated Property
ΔfusH 11.58 kJ/mol 278.2 NIST
ΔvapH 36.40 kJ/mol 368.5 NIST

Molecular Descriptors

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

Similar Compounds

Carbonic acid, ethyl-, methyl ester. Carbonic acid, diethyl ester. Ethylene carbonate. lithium carbonate. HCOOCH radical anion. Methyl formate. Ammonium carbonate. Methane, dimethoxy-. Formic acid, ethenyl ester. Carbonic acid, dipropyl ester. Diallyl carbonate. Carbonic acid, ethyl 2-propenyl ester. 1,3,5-Trioxane. Sodium bicarbonate. 2-Chloroethyl ethyl carbonate.

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