- InChI
- InChI=1S/C19H29NO3/c1-13(2)7-6-12-23-19(22)17(14(3)4)20-18(21)16-10-8-15(5)9-11-16/h8-11,13-14,17H,6-7,12H2,1-5H3,(H,20,21)
- InChI Key
- MNPSLAIKQFGFJW-UHFFFAOYSA-N
- Formula
- C19H29NO3
- SMILES
-
Cc1ccc(C(=O)NC(C(=O)OCCCC(C)C)
C(C)C)cc1 - Molecular Weight1
- 319.44
- 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 | 0.8092 | Relay (1.0) Calculated Property | |
| ΔfG° | -68.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -679.34 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.16 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.37 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.79 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.729 | Crippen Calculated Property | |
| McVol | 273.800 | ml/mol | McGowan Calculated Property |
| Pc | 1502.31 | kPa | Joback Calculated Property |
| Inp | [2351.00; 2351.00] |
|
|
| Inp | 2351.00 | NIST | |
| Inp | 2351.00 | NIST | |
| Tboil | 622.75 | K | Relay (1.0) Calculated Property |
| Tc | 852.18 | K | Relay (1.0) Calculated Property |
| Tfus | 367.62 | K | Relay (1.0) Calculated Property |
| Vc | 0.974 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [850.52; 929.64] | J/mol×K | [844.79; 1053.58] |
|
| Cp,gas | 850.52 | J/mol×K | 844.79 | Joback Calculated Property |
| Cp,gas | 866.51 | J/mol×K | 879.59 | Joback Calculated Property |
| Cp,gas | 881.32 | J/mol×K | 914.39 | Joback Calculated Property |
| Cp,gas | 895.01 | J/mol×K | 949.19 | Joback Calculated Property |
| Cp,gas | 907.60 | J/mol×K | 983.99 | Joback Calculated Property |
| Cp,gas | 919.13 | J/mol×K | 1018.79 | Joback Calculated Property |
| Cp,gas | 929.64 | J/mol×K | 1053.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to L-Valine, N-(4-methylbenzoyl)-, isohexyl ester.
Sources
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