- InChI
- InChI=1S/C18H35NO4/c1-4-7-9-10-11-12-15-22-17(20)16(13-6-3)19-18(21)23-14-8-5-2/h16H,4-15H2,1-3H3,(H,19,21)
- InChI Key
- DKAFIYFGRXDWDP-UHFFFAOYSA-N
- Formula
- C18H35NO4
- SMILES
-
CCCCCCCCOC(=O)C(CCC)NC(=O)OCCC
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).
- 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 | 0.9842 | Relay (... Calculated Property | |
| ΔfG° | -280.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1028.13 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 49.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.00 | kJ/mol | Relay (... Calculated Property |
| IE | 8.98 | eV | Relay (... Calculated Property |
| log10WS | -4.82 | Relay (... Calculated Property | |
| logPoct/wat | 4.585 | Crippen Calculated Property | |
| McVol | 289.340 | ml/mol | McGowan Calculated Property |
| Pc | 1245.97 | kPa | Joback Calculated Property |
| Inp | 1996.00 | NIST | |
| Tboil | 594.73 | K | Relay (... Calculated Property |
| Tc | 791.30 | K | Relay (... Calculated Property |
| Tfus | 286.27 | K | Relay (... Calculated Property |
| Vc | 1.087 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [913.06; 1000.48] | J/mol×K | [813.55; 1000.12] | 
|
| Cp,gas | 913.06 | J/mol×K | 813.55 | Joback Calculated Property |
| Cp,gas | 930.15 | J/mol×K | 844.64 | Joback Calculated Property |
| Cp,gas | 946.21 | J/mol×K | 875.74 | Joback Calculated Property |
| Cp,gas | 961.26 | J/mol×K | 906.83 | Joback Calculated Property |
| Cp,gas | 975.31 | J/mol×K | 937.93 | Joback Calculated Property |
| Cp,gas | 988.37 | J/mol×K | 969.02 | Joback Calculated Property |
| Cp,gas | 1000.48 | J/mol×K | 1000.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to l-Norvaline, n-butoxycarbonyl-, octyl ester.
Sources
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