- InChI
- InChI=1S/C17H17NO2/c18-16(19)17(13-7-2-1-3-8-13)11-6-12-20-15-10-5-4-9-14(15)17/h1-5,7-10H,6,11-12H2,(H2,18,19)
- InChI Key
- PKIZNLKQWLSCFP-UHFFFAOYSA-N
- Formula
- C17H17NO2
- SMILES
-
NC(=O)C1(c2ccccc2)CCCOc2ccccc2
1 - Molecular Weight1
- 267.32
- CAS
- 94908-49-3
- 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 | 0.6026 | Relay (... Calculated Property | |
| ΔfG° | 189.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -158.20 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 29.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.54 | kJ/mol | Relay (... Calculated Property |
| IE | 7.92 | eV | Relay (... Calculated Property |
| log10WS | -3.90 | Relay (... Calculated Property | |
| logPoct/wat | 2.631 | Crippen Calculated Property | |
| McVol | 209.430 | ml/mol | McGowan Calculated Property |
| Pc | 2868.87 | kPa | Joback Calculated Property |
| Tboil | 651.50 | K | Relay (... Calculated Property |
| Tc | 964.18 | K | Relay (... Calculated Property |
| Tfus | 430.93 | K | Relay (... Calculated Property |
| Vc | 0.722 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [623.17; 724.64] | J/mol×K | [815.57; 1088.20] | 
|
| Cp,gas | 623.17 | J/mol×K | 815.57 | Joback Calculated Property |
| Cp,gas | 640.62 | J/mol×K | 861.01 | Joback Calculated Property |
| Cp,gas | 657.44 | J/mol×K | 906.45 | Joback Calculated Property |
| Cp,gas | 673.95 | J/mol×K | 951.89 | Joback Calculated Property |
| Cp,gas | 690.44 | J/mol×K | 997.32 | Joback Calculated Property |
| Cp,gas | 707.24 | J/mol×K | 1042.76 | Joback Calculated Property |
| Cp,gas | 724.64 | J/mol×K | 1088.20 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Phenyl-2,3,4,5-tetrahydrobenzoxepin-5-carboxamide.
Sources
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