- InChI
- InChI=1S/C20H31NO3/c1-5-6-9-17-10-12-18(13-11-17)19(22)21-16(4)20(23)24-14-7-8-15(2)3/h10-13,15-16H,5-9,14H2,1-4H3,(H,21,22)
- InChI Key
- FATRVLFVVZDRLX-UHFFFAOYSA-N
- Formula
- C20H31NO3
- SMILES
-
CCCCc1ccc(C(=O)NC(C)C(=O)OCCCC
(C)C)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 | 0.8912 | Relay (1.0) Calculated Property | |
| ΔfG° | -58.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -696.93 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 43.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.39 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.59 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.10 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.127 | Crippen Calculated Property | |
| McVol | 287.890 | ml/mol | McGowan Calculated Property |
| Pc | 1388.15 | kPa | Joback Calculated Property |
| Inp | 2575.00 | NIST | |
| Tboil | 638.29 | K | Relay (1.0) Calculated Property |
| Tc | 859.10 | K | Relay (1.0) Calculated Property |
| Tfus | 334.97 | K | Relay (1.0) Calculated Property |
| Vc | 1.045 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [909.00; 988.39] | J/mol×K | [868.11; 1074.99] | 
|
| Cp,gas | 909.00 | J/mol×K | 868.11 | Joback Calculated Property |
| Cp,gas | 925.01 | J/mol×K | 902.59 | Joback Calculated Property |
| Cp,gas | 939.86 | J/mol×K | 937.07 | Joback Calculated Property |
| Cp,gas | 953.58 | J/mol×K | 971.55 | Joback Calculated Property |
| Cp,gas | 966.22 | J/mol×K | 1006.03 | Joback Calculated Property |
| Cp,gas | 977.81 | J/mol×K | 1040.51 | Joback Calculated Property |
| Cp,gas | 988.39 | J/mol×K | 1074.99 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to D-Alanine, N-(4-butylbenzoyl)-, isohexyl ester.
Sources
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