- InChI
- InChI=1S/C4H9NO2/c1-2-3-7-4(5)6/h2-3H2,1H3,(H2,5,6)
- InChI Key
- YNTOKMNHRPSGFU-UHFFFAOYSA-N
- Formula
- C4H9NO2
- SMILES
- CCCOC(=N)O
- Molecular Weight1
- 103.12
- CAS
- 627-12-3
- Other Names
-
- Carbamic acid, propyl ester
- n-Propyl carbamate
- Propyl urethane
- Propylester kyseliny karbaminove
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (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).
- 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).
- Tboil : Normal Boiling Point Temperature (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 | 0.7117 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -2307.70 ± 0.42 | kJ/mol | NIST |
| ΔfG° | -55.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -479.51 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 53.26 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.53 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.14 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.906 | Crippen Calculated Property | |
| McVol | 84.640 | ml/mol | McGowan Calculated Property |
| Pc | 4482.47 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 454.98 | K | Relay (1.0) Calculated Property |
| Tc | 628.08 | K | Relay (1.0) Calculated Property |
| Tfus | 319.33 | K | Relay (1.0) Calculated Property |
| Vc | 0.294 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [52.61; 183.08] | J/mol×K | [100.12; 489.86] | 
|
| Cp,gas | 52.61 | J/mol×K | 100.12 | Joback Calculated Property |
| Cp,gas | 52.61 | J/mol×K | 100.12 | Joback Calculated Property |
| Cp,gas | 52.61 | J/mol×K | 100.12 | Joback Calculated Property |
| Cp,gas | 52.61 | J/mol×K | 100.12 | Joback Calculated Property |
| Cp,gas | 52.61 | J/mol×K | 100.12 | Joback Calculated Property |
| Cp,gas | 52.61 | J/mol×K | 100.12 | Joback Calculated Property |
| Cp,gas | 183.08 | J/mol×K | 489.86 | Joback Calculated Property |
| ΔvapH | 61.60 | kJ/mol | 396.50 | NIST |
Similar Compounds
Find more compounds similar to Propylcarbamate.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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