- InChI
- InChI=1S/C23H43NO4/c1-8-9-10-13-27-22(25)20(14-16(2)3)24(7)23(26)28-21-15-18(6)11-12-19(21)17(4)5/h16-21H,8-15H2,1-7H3
- InChI Key
- JNLSXTWDVXEFGW-UHFFFAOYSA-N
- Formula
- C23H43NO4
- SMILES
-
CCCCCOC(=O)C(CC(C)C)N(C)C(=O)O
C1CC(C)CCC1C(C)C - Molecular Weight1
- 397.59
- 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 | 0.8638 | Relay (1.0) Calculated Property | |
| ΔfG° | -212.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1059.37 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 47.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.18 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.30 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.664 | Crippen Calculated Property | |
| McVol | 348.930 | ml/mol | McGowan Calculated Property |
| Pc | 993.25 | kPa | Joback Calculated Property |
| Inp | [2368.00; 2368.00] |
|
|
| Inp | 2368.00 | NIST | |
| Inp | 2368.00 | NIST | |
| Tboil | 638.56 | K | Relay (1.0) Calculated Property |
| Tc | 836.49 | K | Relay (1.0) Calculated Property |
| Tfus | 269.06 | K | Relay (1.0) Calculated Property |
| Vc | 1.248 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1204.89; 1300.47] | J/mol×K | [899.55; 1104.29] |
|
| Cp,gas | 1204.89 | J/mol×K | 899.55 | Joback Calculated Property |
| Cp,gas | 1224.88 | J/mol×K | 933.67 | Joback Calculated Property |
| Cp,gas | 1243.20 | J/mol×K | 967.80 | Joback Calculated Property |
| Cp,gas | 1259.89 | J/mol×K | 1001.92 | Joback Calculated Property |
| Cp,gas | 1274.98 | J/mol×K | 1036.04 | Joback Calculated Property |
| Cp,gas | 1288.50 | J/mol×K | 1070.17 | Joback Calculated Property |
| Cp,gas | 1300.47 | J/mol×K | 1104.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to L-Leucine, N-methyl-N-((1R)-(-)-menthyloxycarbonyl)-, pentyl ester.
Sources
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