- InChI
- InChI=1S/C4H9NO2/c1-3-7-4(6)5-2/h3H2,1-2H3,(H,5,6)
- InChI Key
- SURZCVYFPAXNGN-UHFFFAOYSA-N
- Formula
- C4H9NO2
- SMILES
- CCOC(=O)NC
- Molecular Weight1
- 103.12
- Other Names
-
- Ethyl methylcarbamate
- Methylurethane
- N-Methylurethan
- N-Methylurethane
- Methylcarbamic acid, ethyl ester
- Ethylester kyseliny methylkarbaminove
- CH3NHCOOC2H5
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- Ip : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.4658 | Relay (1.0) Calculated Property | |
| PAff | 888.80 | kJ/mol | NIST |
| BasG | 857.80 | kJ/mol | NIST |
| ΔfG° | -238.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -452.60 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.18 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.56 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.06 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.362 | Crippen Calculated Property | |
| McVol | 84.640 | ml/mol | McGowan Calculated Property |
| Pc | 3985.56 | kPa | Joback Calculated Property |
| Inp | 867.00 | NIST | |
| Ip | 1433.00 | NIST | |
| Tboil | 443.20 | K | NIST |
| Tc | 611.04 | K | Relay (1.0) Calculated Property |
| Tfus | 258.05 | K | Relay (1.0) Calculated Property |
| Vc | 0.324 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 51.70 | kJ/mol | 371.00 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 353.20 | K | 2.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [122.86; 270.69] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 2.34510e+01 | |||
| Coefficient B | 4.05240e-01 | |||
| Coefficient C | -1.47800e-04 | |||
| Coefficient D | -1.02000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 122.86 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 147.87 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 170.80 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 191.64 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 210.34 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 226.87 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 241.21 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 253.31 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 263.15 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 270.69 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.13; 100.40] | kPa | [299.70; 443.00] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.68206e+01 | |||
| Coefficient B | -4.98102e+03 | |||
| Coefficient C | -3.51030e+01 | |||
| Reference | Stull, 1947 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 299.70 | |||
| Temperature range, max. | 443.00 | |||
| Pvap | 0.13 | kPa | 299.70 | Calculated Property |
| Pvap | 0.39 | kPa | 315.62 | Calculated Property |
| Pvap | 1.02 | kPa | 331.54 | Calculated Property |
| Pvap | 2.40 | kPa | 347.47 | Calculated Property |
| Pvap | 5.20 | kPa | 363.39 | Calculated Property |
| Pvap | 10.48 | kPa | 379.31 | Calculated Property |
| Pvap | 19.88 | kPa | 395.23 | Calculated Property |
| Pvap | 35.70 | kPa | 411.16 | Calculated Property |
| Pvap | 61.14 | kPa | 427.08 | Calculated Property |
| Pvap | 100.40 | kPa | 443.00 | Calculated Property |
Similar Compounds
Find more compounds similar to ETHYL N-METHYLCARBAMATE.
Sources
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