- InChI
- InChI=1S/C15H15NO2/c1-2-18-15(17)16(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,2H2,1H3
- InChI Key
- HKTSLDUAGCAISP-UHFFFAOYSA-N
- Formula
- C15H15NO2
- SMILES
- CCOC(=O)N(c1ccccc1)c1ccccc1
- Molecular Weight1
- 241.29
- CAS
- 603-52-1
- Other Names
-
- N,N-Diphenylurethane
- N,N-Diphenylethyl carbamate
- Carbamic acid, diphenyl-, ethyl ester
- Diphenylcarbamic acid, ethyl ester
- Diphenylurethane
- Ethyl diphenylcarbamate
- N,N-Diphenyl carbamic acid, ethyl ester
- 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).
- ΔfH°solid : Solid phase 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 | 0.6451 | Relay (1.0) Calculated Property | |
| ΔcH°solid | [-7785.21; -7740.40] | kJ/mol |
|
| ΔcH°solid | -7765.50 ± 7.90 | kJ/mol | NIST |
| ΔcH°solid | -7785.21 | kJ/mol | NIST |
| ΔcH°solid | -7740.40 | kJ/mol | NIST |
| ΔfG° | 177.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -167.94 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | [-290.00; -261.20] | kJ/mol |
|
| ΔfH°solid | -281.00 ± 7.90 | kJ/mol | NIST |
| ΔfH°solid | -261.20 | kJ/mol | NIST |
| ΔfH°solid | -290.00 | kJ/mol | NIST |
| ΔfusH° | 28.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.31 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.04 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.91 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.981 | Crippen Calculated Property | |
| McVol | 192.110 | ml/mol | McGowan Calculated Property |
| Pc | 2624.46 | kPa | Joback Calculated Property |
| Tboil | 633.20 | K | NIST |
| Tc | 876.39 | K | Relay (1.0) Calculated Property |
| Tfus | 327.38 | K | Relay (1.0) Calculated Property |
| Vc | 0.697 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [505.22; 583.21] | J/mol×K | [684.69; 918.54] |
|
| Cp,gas | 505.22 | J/mol×K | 684.69 | Joback Calculated Property |
| Cp,gas | 521.19 | J/mol×K | 723.67 | Joback Calculated Property |
| Cp,gas | 535.88 | J/mol×K | 762.64 | Joback Calculated Property |
| Cp,gas | 549.35 | J/mol×K | 801.62 | Joback Calculated Property |
| Cp,gas | 561.69 | J/mol×K | 840.59 | Joback Calculated Property |
| Cp,gas | 572.95 | J/mol×K | 879.57 | Joback Calculated Property |
| Cp,gas | 583.21 | J/mol×K | 918.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Ethyl N,N-diphenylcarbamate.
Sources
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