- InChI
- InChI=1S/C10H13NO2/c11-10(12)13-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H2,11,12)
- InChI Key
- CAMYKONBWHRPDD-UHFFFAOYSA-N
- Formula
- C10H13NO2
- SMILES
- NC(=O)OCCCc1ccccc1
- Molecular Weight1
- 179.22
- CAS
- 673-31-4
- Other Names
-
- Benzenepropanol, carbamate
- «gamma»-Phenylpropyl carbamate
- Actiphan
- Actozine
- Ansepron
- Carbamic acid, 3-phenylpropyl ester
- Eirenal
- Extacol
- Fenprobamato
- Gamaquil
- HG 532
- MH 532
- Nelaxan
- Palmita
- Phenoprobamate
- Proformiphen
- Qumamquil
- Spantol
- Tranquil
- 1-Carbamoyloxy-3-phenylpropane
- 1-Propanol, 3-phenyl-, carbamate
- 3-Phenyl-1-propanol carbamate
- 3-Phenylpropyl carbamate
- Quamaquil
- NSC 44682
- NSC 50538
- ω : Acentric Factor.
- 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).
- 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 | 0.6882 | Relay (1.0) Calculated Property | |
| ΔfG° | -98.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -376.90 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.82 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.95 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.54 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.715 | Crippen Calculated Property | |
| McVol | 145.420 | ml/mol | McGowan Calculated Property |
| Pc | 3138.51 | kPa | Joback Calculated Property |
| Tboil | 549.48 | K | Relay (1.0) Calculated Property |
| Tc | 774.53 | K | Relay (1.0) Calculated Property |
| Tfus | 376.50 ± 0.50 | K | NIST |
| Vc | 0.535 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [197.07; 460.79] | 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 | -8.20700e+00 | |||
| Coefficient B | 8.82000e-01 | |||
| Coefficient C | -5.00200e-04 | |||
| Coefficient D | 8.72000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 197.07 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 245.08 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 287.77 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 325.41 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 358.29 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 386.67 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 410.84 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 431.06 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 447.62 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 460.79 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Phenprobamate.
Sources
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