- InChI
- InChI=1S/C25H47NO4/c1-8-9-10-11-12-15-29-24(27)22(16-18(2)3)26(7)25(28)30-23-17-20(6)13-14-21(23)19(4)5/h18-23H,8-17H2,1-7H3
- InChI Key
- TYRJFPJQUXAKGB-UHFFFAOYSA-N
- Formula
- C25H47NO4
- SMILES
-
CCCCCCCOC(=O)C(CC(C)C)N(C)C(=O
)OC1CC(C)CCC1C(C)C - Molecular Weight1
- 425.64
- 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 | 0.9405 | Relay (1.0) Calculated Property | |
| ΔfG° | -195.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1099.54 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 52.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 112.01 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.67 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.92 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.444 | Crippen Calculated Property | |
| McVol | 377.110 | ml/mol | McGowan Calculated Property |
| Pc | 883.14 | kPa | Joback Calculated Property |
| Inp | [2563.00; 2563.00] |
|
|
| Inp | 2563.00 | NIST | |
| Inp | 2563.00 | NIST | |
| Tboil | 653.90 | K | Relay (1.0) Calculated Property |
| Tc | 853.99 | K | Relay (1.0) Calculated Property |
| Tfus | 272.54 | K | Relay (1.0) Calculated Property |
| Vc | 1.356 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1331.98; 1425.37] | J/mol×K | [945.31; 1157.44] |
|
| Cp,gas | 1331.98 | J/mol×K | 945.31 | Joback Calculated Property |
| Cp,gas | 1352.01 | J/mol×K | 980.67 | Joback Calculated Property |
| Cp,gas | 1370.19 | J/mol×K | 1016.02 | Joback Calculated Property |
| Cp,gas | 1386.59 | J/mol×K | 1051.38 | Joback Calculated Property |
| Cp,gas | 1401.22 | J/mol×K | 1086.73 | Joback Calculated Property |
| Cp,gas | 1414.13 | J/mol×K | 1122.09 | Joback Calculated Property |
| Cp,gas | 1425.37 | J/mol×K | 1157.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to L-Leucine, N-methyl-N-((1R)-(-)-menthyloxycarbonyl)-, heptyl ester.
Sources
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