- InChI
- InChI=1S/C3H7NO2/c1-2-6-3(4)5/h2H2,1H3,(H2,4,5)
- InChI Key
- JOYRKODLDBILNP-UHFFFAOYSA-N
- Formula
- C3H7NO2
- SMILES
- CCOC(N)=O
- Molecular Weight1
- 89.09
- CAS
- 51-79-6
- Other Names
-
- A 11032
- Aethylcarbamat
- Aethylurethan
- Carbamic acid, ethyl ester
- Carbamidsaeure-aethylester
- ETHYL CARBAMATE
- Estane 5703
- Ethyl ester of carbamic acid
- Ethyl urethan
- Ethyl urethane
- Ethylester kyseliny karbaminove
- LEUCETHANE
- Leucothane
- NH2COOC2H5
- NSC 746
- O-ETHYLURETHANE
- Pracarbamin
- Pracarbamine
- Rcra waste number U238
- U-Compound
- Uretan
- Uretan etylowy
- Urethan
- X 41
- ethyl aminoformate
- ethylurethane
- o-ethyl carbamate
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,solid : Solid phase heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (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.
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (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 | 0.5249 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -1663.80 | kJ/mol | NIST |
| ΔfG° | -193.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -446.30 | kJ/mol | NIST |
| ΔfH°liquid | -497.30 | kJ/mol | NIST |
| ΔfH°solid | -517.10 | kJ/mol | NIST |
| ΔfusH° | 11.51 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 76.30 | kJ/mol | NIST |
| ΔvapH° | 51.00 ± 2.50 | kJ/mol | NIST |
| IE | [10.20; 10.62] | eV |
|
| IE | 10.20 | eV | NIST |
| IE | 10.62 | eV | NIST |
| log10WS | [0.85; 0.85] |
|
|
| log10WS | 0.85 | Aq. Solubility Prediction | |
| log10WS | 0.85 | Estimated Solubility | |
| logPoct/wat | 0.102 | Crippen Calculated Property | |
| McVol | 70.550 | ml/mol | McGowan Calculated Property |
| Pc | 5080.25 | kPa | Joback Calculated Property |
| Inp | 838.00 | NIST | |
| Tboil | [456.20; 458.40] | K |
|
| Tboil | 458.40 | K | KDB |
| Tboil | 456.20 | K | NIST |
| Tboil | 458.40 ± 0.60 | K | NIST |
| Tc | 576.37 | K | Relay (1.0) Calculated Property |
| Tfus | [321.34; 321.90] | K |
|
| Tfus | 321.34 | K | KDB |
| Tfus | 321.90 | K | Aq. Solubility Prediction |
| Ttriple | 321.41 ± 0.02 | K | NIST |
| Vc | 0.266 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [136.41; 172.18] | J/mol×K | [416.86; 613.38] |
|
| Cp,gas | 136.41 | J/mol×K | 416.86 | Joback Calculated Property |
| Cp,gas | 142.88 | J/mol×K | 449.61 | Joback Calculated Property |
| Cp,gas | 149.16 | J/mol×K | 482.37 | Joback Calculated Property |
| Cp,gas | 155.23 | J/mol×K | 515.12 | Joback Calculated Property |
| Cp,gas | 161.10 | J/mol×K | 547.87 | Joback Calculated Property |
| Cp,gas | 166.75 | J/mol×K | 580.63 | Joback Calculated Property |
| Cp,gas | 172.18 | J/mol×K | 613.38 | Joback Calculated Property |
| Cp,solid | 156.43 | J/mol×K | 300.00 | NIST |
| ΔfusH | [15.23; 20.90] | kJ/mol | [321.41; 321.90] |
|
| ΔfusH | 16.79 | kJ/mol | 321.41 | NIST |
| ΔfusH | 20.90 | kJ/mol | 321.70 | NIST |
| ΔfusH | 15.23 | kJ/mol | 321.90 | NIST |
| ΔsubH | [71.90; 89.10] | kJ/mol | [264.50; 322.00] |
|
| ΔsubH | 77.70 | kJ/mol | 264.50 | NIST |
| ΔsubH | 89.10 ± 0.80 | kJ/mol | 299.50 | NIST |
| ΔsubH | 71.90 | kJ/mol | 322.00 | NIST |
| ΔvapH | [56.60; 77.70] | kJ/mol | [298.15; 397.50] |
|
| ΔvapH | 77.70 | kJ/mol | 298.15 | The enthalpies of formation of alkyl carbamates: Experimental and computational redetermination |
| ΔvapH | 56.60 | kJ/mol | 397.50 | NIST |
| Pvap | [0.88; 2.95] | kPa | [322.60; 371.70] |
|
| Pvap | 0.88 | kPa | 322.60 | Vapor-Liquid Equilibrium Studies for Systems Containing n-Butylisocyanate at Temperatures between 323.15 K and 371.15 K |
| Pvap | 1.29 | kPa | 337.20 | Vapor-Liquid Equilibrium Studies for Systems Containing n-Butylisocyanate at Temperatures between 323.15 K and 371.15 K |
| Pvap | 1.49 | kPa | 342.30 | Vapor-Liquid Equilibrium Studies for Systems Containing n-Butylisocyanate at Temperatures between 323.15 K and 371.15 K |
| Pvap | 1.96 | kPa | 352.50 | Vapor-Liquid Equilibrium Studies for Systems Containing n-Butylisocyanate at Temperatures between 323.15 K and 371.15 K |
| Pvap | 2.38 | kPa | 362.60 | Vapor-Liquid Equilibrium Studies for Systems Containing n-Butylisocyanate at Temperatures between 323.15 K and 371.15 K |
| Pvap | 2.95 | kPa | 371.70 | Vapor-Liquid Equilibrium Studies for Systems Containing n-Butylisocyanate at Temperatures between 323.15 K and 371.15 K |
| ΔfusS | [52.25; 64.80] | J/mol×K | [321.41; 321.70] |
|
| ΔfusS | 52.25 | J/mol×K | 321.41 | NIST |
| ΔfusS | 64.80 | J/mol×K | 321.70 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.62; 101.21] | kPa | [338.15; 457.15] |
KDB Vapor Pressure Data
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 9.20583e+01 | |||
| Coefficient B | -1.00894e+04 | |||
| Coefficient C | -1.08907e+01 | |||
| Coefficient D | 6.38522e-06 | |||
| Temperature range, min. | 338.15 | |||
| Temperature range, max. | 457.15 | |||
| Pvap | 0.62 | kPa | 338.15 | Calculated Property |
| Pvap | 1.34 | kPa | 351.37 | Calculated Property |
| Pvap | 2.70 | kPa | 364.59 | Calculated Property |
| Pvap | 5.13 | kPa | 377.82 | Calculated Property |
| Pvap | 9.29 | kPa | 391.04 | Calculated Property |
| Pvap | 16.09 | kPa | 404.26 | Calculated Property |
| Pvap | 26.77 | kPa | 417.48 | Calculated Property |
| Pvap | 43.00 | kPa | 430.71 | Calculated Property |
| Pvap | 66.91 | kPa | 443.93 | Calculated Property |
| Pvap | 101.21 | kPa | 457.15 | Calculated Property |
Similar Compounds
Find more compounds similar to Urethane.
Mixtures
Sources
- KDB Vapor Pressure Data
- Cheméo Relay (1.0)
- Crippen Method
- The enthalpies of formation of alkyl carbamates: Experimental and computational redetermination
- Vapor-Liquid Equilibrium Studies for Systems Containing n-Butylisocyanate at Temperatures between 323.15 K and 371.15 K
- Joback Method
- KDB
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.