- InChI
- InChI=1S/C16H15NO2/c17-15(18)16(12-6-2-1-3-7-12)10-11-19-14-9-5-4-8-13(14)16/h1-9H,10-11H2,(H2,17,18)
- InChI Key
- GJFSBFVZMHGUAV-UHFFFAOYSA-N
- Formula
- C16H15NO2
- SMILES
- NC(=O)C1(c2ccccc2)CCOc2ccccc21
- Molecular Weight1
- 253.30
- CAS
- 92962-91-9
- 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 | 0.5929 | Relay (... Calculated Property | |
| ΔfG° | 193.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -117.10 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 29.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.62 | kJ/mol | Relay (... Calculated Property |
| IE | 7.93 | eV | Relay (... Calculated Property |
| log10WS | -3.71 | Relay (... Calculated Property | |
| logPoct/wat | 2.240 | Crippen Calculated Property | |
| McVol | 195.340 | ml/mol | McGowan Calculated Property |
| Pc | 3100.18 | kPa | Joback Calculated Property |
| Tboil | 632.38 | K | Relay (... Calculated Property |
| Tc | 955.06 | K | Relay (... Calculated Property |
| Tfus | 433.87 | K | Relay (... Calculated Property |
| Vc | 0.685 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [564.81; 659.48] | J/mol×K | [788.42; 1059.45] | 
|
| Cp,gas | 564.81 | J/mol×K | 788.42 | Joback Calculated Property |
| Cp,gas | 581.01 | J/mol×K | 833.59 | Joback Calculated Property |
| Cp,gas | 596.63 | J/mol×K | 878.76 | Joback Calculated Property |
| Cp,gas | 611.97 | J/mol×K | 923.94 | Joback Calculated Property |
| Cp,gas | 627.35 | J/mol×K | 969.11 | Joback Calculated Property |
| Cp,gas | 643.08 | J/mol×K | 1014.28 | Joback Calculated Property |
| Cp,gas | 659.48 | J/mol×K | 1059.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Phenyl-4-chromancarboxamide.
Sources
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