- InChI
- InChI=1S/C14H17NO3/c16-13(10-6-2-1-3-7-10)15-12-9-5-4-8-11(12)14(17)18/h1-3,6-7,11-12H,4-5,8-9H2,(H,15,16)(H,17,18)/t11-,12+/m1/s1
- InChI Key
- PUANNVQABXUYKU-NEPJUHHUSA-N
- Formula
- C14H17NO3
- SMILES
- O=C(NC1CCCCC1C(=O)O)c1ccccc1
- Molecular Weight1
- 247.29
- CAS
- 26685-82-5
- 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 | 0.7533 | Relay (... Calculated Property | |
| ΔfG° | -109.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -508.08 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 31.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 121.64 | kJ/mol | Relay (... Calculated Property |
| IE | 8.93 | eV | Relay (... Calculated Property |
| log10WS | -2.79 | Relay (... Calculated Property | |
| logPoct/wat | 2.060 | Crippen Calculated Property | |
| McVol | 192.490 | ml/mol | McGowan Calculated Property |
| Pc | 2992.59 | kPa | Joback Calculated Property |
| Tboil | 620.10 | K | Relay (... Calculated Property |
| Tc | 913.90 | K | Relay (... Calculated Property |
| Tfus | 413.89 | K | Relay (... Calculated Property |
| Vc | 0.658 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [592.51; 656.09] | J/mol×K | [811.37; 1035.91] | 
|
| Cp,gas | 592.51 | J/mol×K | 811.37 | Joback Calculated Property |
| Cp,gas | 605.86 | J/mol×K | 848.79 | Joback Calculated Property |
| Cp,gas | 618.03 | J/mol×K | 886.22 | Joback Calculated Property |
| Cp,gas | 629.09 | J/mol×K | 923.64 | Joback Calculated Property |
| Cp,gas | 639.09 | J/mol×K | 961.06 | Joback Calculated Property |
| Cp,gas | 648.07 | J/mol×K | 998.49 | Joback Calculated Property |
| Cp,gas | 656.09 | J/mol×K | 1035.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (+)-cis-2-Benzamidocyclohexane-carboxylic acid.
Sources
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