- InChI
- InChI=1S/C11H19NO3/c12-10(13)9(11(14)15)7-6-8-4-2-1-3-5-8/h8-9H,1-7H2,(H2,12,13)(H,14,15)
- InChI Key
- SKOGCXVYDHZWNC-UHFFFAOYSA-N
- Formula
- C11H19NO3
- SMILES
- NC(=O)C(CCC1CCCCC1)C(=O)O
- Molecular Weight1
- 213.27
- CAS
- 116346-21-5
- 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 | 0.7998 | Relay (1.0) Calculated Property | |
| ΔfG° | -264.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -768.90 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.41 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.70 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.44 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.533 | Crippen Calculated Property | |
| McVol | 173.980 | ml/mol | McGowan Calculated Property |
| Pc | 3135.00 | kPa | Joback Calculated Property |
| Tboil | 583.14 | K | Relay (1.0) Calculated Property |
| Tc | 831.21 | K | Relay (1.0) Calculated Property |
| Tfus | 412.44 | K | Relay (1.0) Calculated Property |
| Vc | 0.592 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [526.13; 593.82] | J/mol×K | [742.64; 952.03] | 
|
| Cp,gas | 526.13 | J/mol×K | 742.64 | Joback Calculated Property |
| Cp,gas | 539.66 | J/mol×K | 777.54 | Joback Calculated Property |
| Cp,gas | 552.25 | J/mol×K | 812.44 | Joback Calculated Property |
| Cp,gas | 563.93 | J/mol×K | 847.34 | Joback Calculated Property |
| Cp,gas | 574.73 | J/mol×K | 882.24 | Joback Calculated Property |
| Cp,gas | 584.68 | J/mol×K | 917.13 | Joback Calculated Property |
| Cp,gas | 593.82 | J/mol×K | 952.03 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Carboxamide, 4-cyclohexyl butyric acid.
Sources
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