- InChI
- InChI=1S/C30H51NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-34-30(33)28(25(2)3)31-29(32)27-22-20-26(4)21-23-27/h20-23,25,28H,5-19,24H2,1-4H3,(H,31,32)
- InChI Key
- WSHTZMGMWOSCRS-UHFFFAOYSA-N
- Formula
- C30H51NO3
- SMILES
-
CCCCCCCCCCCCCCCCCOC(=O)C(NC(=O
)c1ccc(C)cc1)C(C)C - Molecular Weight1
- 473.73
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 26.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -751.94 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 69.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 106.87 | kJ/mol | Joback Calculated Property |
| log10WS | -9.82 | Crippen Calculated Property | |
| logPoct/wat | 8.164 | Crippen Calculated Property | |
| McVol | 428.790 | ml/mol | McGowan Calculated Property |
| Pc | 753.08 | kPa | Joback Calculated Property |
| Inp | [3559.00; 3559.00] |
|
|
| Inp | 3559.00 | NIST | |
| Inp | 3559.00 | NIST | |
| Tboil | 1096.91 | K | Joback Calculated Property |
| Tc | 1357.24 | K | Joback Calculated Property |
| Tfus | 611.55 | K | Joback Calculated Property |
| Vc | 1.661 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1530.10; 1618.07] | J/mol×K | [1096.91; 1357.24] |
|
| Cp,gas | 1530.10 | J/mol×K | 1096.91 | Joback Calculated Property |
| Cp,gas | 1549.11 | J/mol×K | 1140.30 | Joback Calculated Property |
| Cp,gas | 1566.19 | J/mol×K | 1183.69 | Joback Calculated Property |
| Cp,gas | 1581.49 | J/mol×K | 1227.07 | Joback Calculated Property |
| Cp,gas | 1595.15 | J/mol×K | 1270.46 | Joback Calculated Property |
| Cp,gas | 1607.29 | J/mol×K | 1313.85 | Joback Calculated Property |
| Cp,gas | 1618.07 | J/mol×K | 1357.24 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to L-Valine, N-(4-methylbenzoyl)-, heptadecyl ester.
Sources
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