- InChI
- InChI=1S/C22H41NO4/c1-14(2)11-19(21(24)26-13-15(3)4)23(8)22(25)27-20-12-17(7)9-10-18(20)16(5)6/h14-20H,9-13H2,1-8H3
- InChI Key
- ZREMMJAEGFRXRL-UHFFFAOYSA-N
- Formula
- C22H41NO4
- SMILES
-
CC(C)COC(=O)C(CC(C)C)N(C)C(=O)
OC1CC(C)CCC1C(C)C - Molecular Weight1
- 383.57
- 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 | 0.8012 | Relay (1.0) Calculated Property | |
| ΔfG° | -223.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1058.50 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.32 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.66 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.05 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.130 | Crippen Calculated Property | |
| McVol | 334.840 | ml/mol | McGowan Calculated Property |
| Pc | 1061.71 | kPa | Joback Calculated Property |
| Inp | [2233.00; 2233.00] |
|
|
| Inp | 2233.00 | NIST | |
| Inp | 2233.00 | NIST | |
| Tboil | 629.81 | K | Relay (1.0) Calculated Property |
| Tc | 826.02 | K | Relay (1.0) Calculated Property |
| Tfus | 277.80 | K | Relay (1.0) Calculated Property |
| Vc | 1.197 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1142.40; 1239.17] | J/mol×K | [876.23; 1079.84] |
|
| Cp,gas | 1142.40 | J/mol×K | 876.23 | Joback Calculated Property |
| Cp,gas | 1162.50 | J/mol×K | 910.16 | Joback Calculated Property |
| Cp,gas | 1180.98 | J/mol×K | 944.10 | Joback Calculated Property |
| Cp,gas | 1197.85 | J/mol×K | 978.03 | Joback Calculated Property |
| Cp,gas | 1213.16 | J/mol×K | 1011.97 | Joback Calculated Property |
| Cp,gas | 1226.93 | J/mol×K | 1045.90 | Joback Calculated Property |
| Cp,gas | 1239.17 | J/mol×K | 1079.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to L-Leucine, N-methyl-N-((1R)-(-)-menthyloxycarbonyl)-, isobutyl ester.
Sources
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