- InChI
- InChI=1S/C10H13NO2/c1-2-8-13-10(12)11-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,11,12)
- InChI Key
- QDZXCXBFZLLQFT-UHFFFAOYSA-N
- Formula
- C10H13NO2
- SMILES
- CCCOC(=O)Nc1ccccc1
- Molecular Weight1
- 179.22
- Other Names
-
- Carbanilic acid, propyl ester
- Propyl carbanilate
- Propyl phenylcarbamate
- Propyl phenylurethane
- Propyl N-phenylcarbamate
- Carbanilic acid, n-propyl ester
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,solid : Solid phase heat capacity (J/mol×K).
- ΔfH°gas : 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).
- ΔvapH° : Enthalpy of vaporization at standard conditions (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).
- Inp : Non-polar retention indices.
- Ip : 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).
- 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 | 0.6133 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -331.37 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.12 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.34 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.94 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.645 | Crippen Calculated Property | |
| McVol | 145.420 | ml/mol | McGowan Calculated Property |
| Pc | 2989.32 | kPa | Joback Calculated Property |
| Inp | [1483.00; 1514.00] |
|
|
| Inp | 1491.00 | NIST | |
| Inp | 1491.00 | NIST | |
| Inp | 1493.00 | NIST | |
| Inp | 1490.00 | NIST | |
| Inp | 1483.00 | NIST | |
| Inp | 1503.00 | NIST | |
| Inp | Outlier 1514.00 | NIST | |
| Inp | 1483.00 | NIST | |
| Ip | [2113.00; 2113.00] |
|
|
| Ip | 2113.00 | NIST | |
| Ip | 2113.00 | NIST | |
| Tboil | 547.26 | K | Relay (1.0) Calculated Property |
| Tc | 774.50 | K | Relay (1.0) Calculated Property |
| Tfus | 331.00 ± 1.00 | K | NIST |
| Vc | 0.529 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,solid | 263.60 | J/mol×K | 298.00 | NIST |
| ΔfusH | [21.08; 21.08] | kJ/mol | [331.00; 331.00] |
|
| ΔfusH | 21.08 | kJ/mol | 331.00 | NIST |
| ΔfusH | 21.08 | kJ/mol | 331.00 | NIST |
| ΔfusH | 21.08 | kJ/mol | 331.00 | NIST |
| ΔfusS | 63.70 | J/mol×K | 331.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [192.88; 461.71] | 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 | -1.59080e+01 | |||
| Coefficient B | 8.96320e-01 | |||
| Coefficient C | -5.05400e-04 | |||
| Coefficient D | 8.67000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 192.88 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 241.77 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 285.27 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 323.64 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 357.17 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 386.13 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 410.78 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 431.42 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 448.30 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 461.71 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Carbamic acid, phenyl-, propyl ester.
Sources
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