- 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
- Propyl urethane
- Propylester kyseliny karbaminove
- n-Propyl carbamate
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- Pvap : Vapor pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical 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 |
|---|---|---|---|
| ΔcH°solid | -2307.70 ± 0.42 | kJ/mol | NIST |
| ΔfH°gas | -479.51 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 53.24 | 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 | 4355.33 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 454.98 | K | Relay (1.0) Calculated Property |
| Tc | 638.52 | K | Relay (1.0) Calculated Property |
| Tfus | 333.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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 |
|---|---|---|---|---|
| ΔvapH | 61.60 | kJ/mol | 396.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [118.18; 271.94] | 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 | 8.54200e+00 | |||
| Coefficient B | 4.63500e-01 | |||
| Coefficient C | -2.36800e-04 | |||
| Coefficient D | 3.67000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 118.18 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 144.51 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 168.25 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 189.54 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 208.47 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 225.17 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 239.75 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 252.32 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 263.02 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 271.94 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.13; 100.57] | kPa | [325.60; 468.00] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.80781e+01 | |||
| Coefficient B | -5.81611e+03 | |||
| Coefficient C | -3.61290e+01 | |||
| Reference | Stull, 1947 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 325.60 | |||
| Temperature range, max. | 468.00 | |||
| Pvap | 0.13 | kPa | 325.60 | Calculated Property |
| Pvap | 0.38 | kPa | 341.42 | Calculated Property |
| Pvap | 0.97 | kPa | 357.24 | Calculated Property |
| Pvap | 2.26 | kPa | 373.07 | Calculated Property |
| Pvap | 4.91 | kPa | 388.89 | Calculated Property |
| Pvap | 9.96 | kPa | 404.71 | Calculated Property |
| Pvap | 19.07 | kPa | 420.53 | Calculated Property |
| Pvap | 34.68 | kPa | 436.36 | Calculated Property |
| Pvap | 60.26 | kPa | 452.18 | Calculated Property |
| Pvap | 100.57 | kPa | 468.00 | Calculated Property |
Similar Compounds
![Propane, 1,1'-[ethylidenebis(oxy)]bis-.](data:image/png;base64,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)
Find more compounds similar to Propylcarbamate.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- 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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