- InChI
- InChI=1S/C3H7NO3/c1-7-3(6)4-2-5/h5H,2H2,1H3,(H,4,6)
- InChI Key
- QLIOROOVARTAMQ-UHFFFAOYSA-N
- Formula
- C3H7NO3
- SMILES
- COC(=O)NCO
- Molecular Weight1
- 105.09
- Other Names
-
- methyl (hydroxymethyl)-carbamate
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -596.89 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.97 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.08 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | -0.708 | Crippen Calculated Property | |
| McVol | 76.420 | ml/mol | McGowan Calculated Property |
| Pc | 5446.55 | kPa | Joback Calculated Property |
| Tboil | 482.91 | K | Relay (1.0) Calculated Property |
| Tfus | 321.62 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [163.71; 196.94] | J/mol×K | [486.68; 664.80] | 
|
| Cp,gas | 163.71 | J/mol×K | 486.68 | Joback Calculated Property |
| Cp,gas | 169.78 | J/mol×K | 516.37 | Joback Calculated Property |
| Cp,gas | 175.64 | J/mol×K | 546.05 | Joback Calculated Property |
| Cp,gas | 181.29 | J/mol×K | 575.74 | Joback Calculated Property |
| Cp,gas | 186.73 | J/mol×K | 605.43 | Joback Calculated Property |
| Cp,gas | 191.95 | J/mol×K | 635.12 | Joback Calculated Property |
| Cp,gas | 196.94 | J/mol×K | 664.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Carbamic acid, (hydroxymethyl)-,methyl ester.
Sources
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