- InChI
- InChI=1S/C31H59NO4/c1-8-9-10-11-12-13-14-15-16-17-18-21-35-30(33)28(22-24(2)3)32(7)31(34)36-29-23-26(6)19-20-27(29)25(4)5/h24-29H,8-23H2,1-7H3
- InChI Key
- IEACPNHLZRUODK-UHFFFAOYSA-N
- Formula
- C31H59NO4
- SMILES
-
CCCCCCCCCCCCCOC(=O)C(CC(C)C)N(
C)C(=O)OC1CC(C)CCC1C(C)C - Molecular Weight1
- 509.80
- 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 | 1.1614 | Relay (1.0) Calculated Property | |
| ΔfG° | -145.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1219.61 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 68.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 136.03 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.89 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.73 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.784 | Crippen Calculated Property | |
| McVol | 461.650 | ml/mol | McGowan Calculated Property |
| Pc | 643.85 | kPa | Joback Calculated Property |
| Inp | [3168.00; 3168.00] |
|
|
| Inp | 3168.00 | NIST | |
| Inp | 3168.00 | NIST | |
| Tboil | 694.91 | K | Relay (1.0) Calculated Property |
| Tc | 900.84 | K | Relay (1.0) Calculated Property |
| Tfus | 285.97 | K | Relay (1.0) Calculated Property |
| Vc | 1.681 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1719.27; 1802.67] | J/mol×K | [1082.59; 1343.25] |
|
| Cp,gas | 1719.27 | J/mol×K | 1082.59 | Joback Calculated Property |
| Cp,gas | 1739.94 | J/mol×K | 1126.03 | Joback Calculated Property |
| Cp,gas | 1757.75 | J/mol×K | 1169.48 | Joback Calculated Property |
| Cp,gas | 1772.83 | J/mol×K | 1212.92 | Joback Calculated Property |
| Cp,gas | 1785.27 | J/mol×K | 1256.36 | Joback Calculated Property |
| Cp,gas | 1795.18 | J/mol×K | 1299.81 | Joback Calculated Property |
| Cp,gas | 1802.67 | J/mol×K | 1343.25 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to L-Leucine, N-methyl-N-((1R)-(-)-menthyloxycarbonyl)-, tridecyl ester.
Sources
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