- InChI
- InChI=1S/C22H43NO4/c1-5-7-8-9-10-11-12-13-14-15-17-26-21(24)20(16-6-2)23-22(25)27-18-19(3)4/h19-20H,5-18H2,1-4H3,(H,23,25)
- InChI Key
- NEXRNOCUCGOTJA-UHFFFAOYSA-N
- Formula
- C22H43NO4
- SMILES
-
CCCCCCCCCCCCOC(=O)C(CCC)NC(=O)
OCC(C)C - Molecular Weight1
- 385.58
- 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 | 1.0983 | Relay (... Calculated Property | |
| ΔfG° | -248.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1124.87 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 56.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 110.20 | kJ/mol | Relay (... Calculated Property |
| IE | 9.13 | eV | Relay (... Calculated Property |
| log10WS | -6.10 | Relay (... Calculated Property | |
| logPoct/wat | 6.001 | Crippen Calculated Property | |
| McVol | 345.700 | ml/mol | McGowan Calculated Property |
| Pc | 971.09 | kPa | Joback Calculated Property |
| Inp | 2271.00 | NIST | |
| Tboil | 625.41 | K | Relay (... Calculated Property |
| Tc | 819.76 | K | Relay (... Calculated Property |
| Tfus | 304.93 | K | Relay (... Calculated Property |
| Vc | 1.305 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1158.20; 1250.35] | J/mol×K | [904.63; 1107.67] | 
|
| Cp,gas | 1158.20 | J/mol×K | 904.63 | Joback Calculated Property |
| Cp,gas | 1176.86 | J/mol×K | 938.47 | Joback Calculated Property |
| Cp,gas | 1194.17 | J/mol×K | 972.31 | Joback Calculated Property |
| Cp,gas | 1210.14 | J/mol×K | 1006.15 | Joback Calculated Property |
| Cp,gas | 1224.81 | J/mol×K | 1039.99 | Joback Calculated Property |
| Cp,gas | 1238.20 | J/mol×K | 1073.83 | Joback Calculated Property |
| Cp,gas | 1250.35 | J/mol×K | 1107.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to l-Norvaline, N-isobutoxycarbonyl-, dodecyl ester.
Sources
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