- InChI
- InChI=1S/C20H31NO3/c1-4-6-8-9-15-24-20(23)16(3)21-19(22)18-13-11-17(12-14-18)10-7-5-2/h11-14,16H,4-10,15H2,1-3H3,(H,21,22)
- InChI Key
- FNTCXASHEVHNLQ-UHFFFAOYSA-N
- Formula
- C20H31NO3
- SMILES
-
CCCCCCOC(=O)C(C)NC(=O)c1ccc(CC
CC)cc1 - Molecular Weight1
- 333.46
- 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 | 0.9344 | Relay (1.0) Calculated Property | |
| ΔfG° | -55.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -679.76 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 47.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.26 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.55 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.17 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.271 | Crippen Calculated Property | |
| McVol | 287.890 | ml/mol | McGowan Calculated Property |
| Pc | 1379.91 | kPa | Joback Calculated Property |
| Inp | 2623.00 | NIST | |
| Tboil | 637.07 | K | Relay (1.0) Calculated Property |
| Tc | 863.69 | K | Relay (1.0) Calculated Property |
| Tfus | 328.56 | K | Relay (1.0) Calculated Property |
| Vc | 1.058 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [908.49; 987.66] | J/mol×K | [868.55; 1073.74] | 
|
| Cp,gas | 908.49 | J/mol×K | 868.55 | Joback Calculated Property |
| Cp,gas | 924.40 | J/mol×K | 902.75 | Joback Calculated Property |
| Cp,gas | 939.17 | J/mol×K | 936.95 | Joback Calculated Property |
| Cp,gas | 952.84 | J/mol×K | 971.14 | Joback Calculated Property |
| Cp,gas | 965.45 | J/mol×K | 1005.34 | Joback Calculated Property |
| Cp,gas | 977.04 | J/mol×K | 1039.54 | Joback Calculated Property |
| Cp,gas | 987.66 | J/mol×K | 1073.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to D-Alanine, N-(4-butylbenzoyl)-, hexyl ester.
Sources
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