- InChI
- InChI=1S/C13H17NO3/c15-12(16)9-5-2-6-10-14-13(17)11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2,(H,14,17)(H,15,16)
- InChI Key
- LFCIOBCYMAQQBT-UHFFFAOYSA-N
- Formula
- C13H17NO3
- SMILES
- O=C(O)CCCCCNC(=O)c1ccccc1
- Molecular Weight1
- 235.28
- CAS
- 956-09-2
- Other Names
-
- Hexanoic acid, «epsilon»-benzamido-
- 6-Benzamidohexanoic acid
- E-Benzamido coproic acid
- 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 | 0.9192 | Relay (1.0) Calculated Property | |
| ΔfG° | -134.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -538.99 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 118.22 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.94 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.61 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.061 | Crippen Calculated Property | |
| McVol | 189.260 | ml/mol | McGowan Calculated Property |
| Pc | 2758.46 | kPa | Joback Calculated Property |
| Tboil | 613.61 | K | Relay (1.0) Calculated Property |
| Tc | 868.64 | K | Relay (1.0) Calculated Property |
| Tfus | 389.14 | K | Relay (1.0) Calculated Property |
| Vc | 0.677 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [541.91; 599.57] | J/mol×K | [773.61; 975.10] | 
|
| Cp,gas | 541.91 | J/mol×K | 773.61 | Joback Calculated Property |
| Cp,gas | 553.32 | J/mol×K | 807.19 | Joback Calculated Property |
| Cp,gas | 563.95 | J/mol×K | 840.77 | Joback Calculated Property |
| Cp,gas | 573.86 | J/mol×K | 874.35 | Joback Calculated Property |
| Cp,gas | 583.07 | J/mol×K | 907.94 | Joback Calculated Property |
| Cp,gas | 591.63 | J/mol×K | 941.52 | Joback Calculated Property |
| Cp,gas | 599.57 | J/mol×K | 975.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexanoic acid, 6-(benzoylamino)-.
Sources
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