- InChI
- InChI=1S/C17H31NO3/c1-2-3-4-5-9-14-21-16(19)12-13-18-17(20)15-10-7-6-8-11-15/h15H,2-14H2,1H3,(H,18,20)
- InChI Key
- UHAJWAQPTYMHMF-UHFFFAOYSA-N
- Formula
- C17H31NO3
- SMILES
- CCCCCCCOC(=O)CCNC(=O)C1CCCCC1
- Molecular Weight1
- 297.43
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.8311 | Relay (1.0) Calculated Property | |
| ΔfG° | -156.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -793.08 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.98 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.15 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.98 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.587 | Crippen Calculated Property | |
| McVol | 258.520 | ml/mol | McGowan Calculated Property |
| Pc | 1570.96 | kPa | Joback Calculated Property |
| Inp | 2349.00 | NIST | |
| Tboil | 626.91 | K | Relay (1.0) Calculated Property |
| Tc | 839.20 | K | Relay (1.0) Calculated Property |
| Tfus | 324.06 | K | Relay (1.0) Calculated Property |
| Vc | 0.946 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [818.82; 910.01] | J/mol×K | [788.24; 986.29] | 
|
| Cp,gas | 818.82 | J/mol×K | 788.24 | Joback Calculated Property |
| Cp,gas | 836.87 | J/mol×K | 821.25 | Joback Calculated Property |
| Cp,gas | 853.74 | J/mol×K | 854.26 | Joback Calculated Property |
| Cp,gas | 869.46 | J/mol×K | 887.27 | Joback Calculated Property |
| Cp,gas | 884.05 | J/mol×K | 920.27 | Joback Calculated Property |
| Cp,gas | 897.56 | J/mol×K | 953.28 | Joback Calculated Property |
| Cp,gas | 910.01 | J/mol×K | 986.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-Alanine, N-cyclohexylcarbonyl-, heptyl ester.
Sources
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