- InChI
- InChI=1S/C25H41NO3/c1-5-6-7-8-9-10-11-12-13-14-19-29-25(28)23(20(2)3)26-24(27)22-17-15-21(4)16-18-22/h15-18,20,23H,5-14,19H2,1-4H3,(H,26,27)
- InChI Key
- JOMFLMSRHRLOHZ-UHFFFAOYSA-N
- Formula
- C25H41NO3
- SMILES
-
CCCCCCCCCCCCOC(=O)C(NC(=O)c1cc
c(C)cc1)C(C)C - Molecular Weight1
- 403.60
- 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 | 1.0738 | Relay (1.0) Calculated Property | |
| ΔfG° | -15.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -787.78 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 56.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 122.24 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.47 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.68 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.214 | Crippen Calculated Property | |
| McVol | 358.340 | ml/mol | McGowan Calculated Property |
| Pc | 998.91 | kPa | Joback Calculated Property |
| Inp | [3013.00; 3013.00] |
|
|
| Inp | 3013.00 | NIST | |
| Inp | 3013.00 | NIST | |
| Tboil | 667.77 | K | Relay (1.0) Calculated Property |
| Tc | 899.21 | K | Relay (1.0) Calculated Property |
| Tfus | 364.86 | K | Relay (1.0) Calculated Property |
| Vc | 1.307 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1213.73; 1296.35] | J/mol×K | [982.51; 1202.87] |
|
| Cp,gas | 1213.73 | J/mol×K | 982.51 | Joback Calculated Property |
| Cp,gas | 1230.81 | J/mol×K | 1019.24 | Joback Calculated Property |
| Cp,gas | 1246.47 | J/mol×K | 1055.96 | Joback Calculated Property |
| Cp,gas | 1260.80 | J/mol×K | 1092.69 | Joback Calculated Property |
| Cp,gas | 1273.84 | J/mol×K | 1129.42 | Joback Calculated Property |
| Cp,gas | 1285.67 | J/mol×K | 1166.15 | Joback Calculated Property |
| Cp,gas | 1296.35 | J/mol×K | 1202.87 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to L-Valine, N-(4-methylbenzoyl)-, dodecyl ester.
Sources
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