- InChI
- InChI=1S/C25H19NO2/c27-25(26(22-12-6-2-7-13-22)23-14-8-3-9-15-23)28-24-18-16-21(17-19-24)20-10-4-1-5-11-20/h1-19H
- InChI Key
- AEYFPYAZOWKZRY-UHFFFAOYSA-N
- Formula
- C25H19NO2
- SMILES
-
O=C(Oc1ccc(-c2ccccc2)cc1)N(c1c
cccc1)c1ccccc1 - Molecular Weight1
- 365.42
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | 108.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 43.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 131.52 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.68 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 6.691 | Crippen Calculated Property | |
| McVol | 285.490 | ml/mol | McGowan Calculated Property |
| Inp | [3305.00; 3305.00] |
|
|
| Inp | 3305.00 | NIST | |
| Inp | 3305.00 | NIST | |
| Tboil | 746.35 | K | Relay (1.0) Calculated Property |
| Tfus | 431.17 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [341.20; 878.10] | 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 | -1.26440e+02 | |||
| Coefficient B | 2.07280e+00 | |||
| Coefficient C | -1.41196e-03 | |||
| Coefficient D | 3.43700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 341.20 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 445.37 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 535.88 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 613.81 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 680.25 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 736.28 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 782.99 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 821.48 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 852.82 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 878.10 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to N,N-Diphenylcarbamic acid, 4-biphenyl ester.
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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