- InChI
- InChI=1S/C18H35NO4/c1-13(2)10-14(15(20)22-11-17(3,4)5)19(9)16(21)23-12-18(6,7)8/h13-14H,10-12H2,1-9H3
- InChI Key
- OCUYRQWPXLJKBP-UHFFFAOYSA-N
- Formula
- C18H35NO4
- SMILES
-
CC(C)CC(C(=O)OCC(C)(C)C)N(C)C(
=O)OCC(C)(C)C - Molecular Weight1
- 329.47
- 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).
- 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 | 0.7997 | Relay (1.0) Calculated Property | |
| ΔfG° | -255.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1032.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.81 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.83 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.26 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.105 | Crippen Calculated Property | |
| McVol | 289.340 | ml/mol | McGowan Calculated Property |
| Pc | 1273.69 | kPa | Joback Calculated Property |
| Tboil | 577.32 | K | Relay (1.0) Calculated Property |
| Tc | 758.28 | K | Relay (1.0) Calculated Property |
| Tfus | 327.35 | K | Relay (1.0) Calculated Property |
| Vc | 1.106 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [895.86; 989.71] | J/mol×K | [768.92; 960.09] | 
|
| Cp,gas | 895.86 | J/mol×K | 768.92 | Joback Calculated Property |
| Cp,gas | 914.10 | J/mol×K | 800.78 | Joback Calculated Property |
| Cp,gas | 931.24 | J/mol×K | 832.64 | Joback Calculated Property |
| Cp,gas | 947.32 | J/mol×K | 864.51 | Joback Calculated Property |
| Cp,gas | 962.39 | J/mol×K | 896.37 | Joback Calculated Property |
| Cp,gas | 976.50 | J/mol×K | 928.23 | Joback Calculated Property |
| Cp,gas | 989.71 | J/mol×K | 960.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to l-Leucine, N-neopentyloxycarbonyl-N-methyl-, neopentyl ester.
Sources
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