- InChI
- InChI=1S/C29H49NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-33-29(32)27(24(2)3)30-28(31)26-21-19-25(4)20-22-26/h19-22,24,27H,5-18,23H2,1-4H3,(H,30,31)
- InChI Key
- UPXKYTXNECIPDU-UHFFFAOYSA-N
- Formula
- C29H49NO3
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)C(NC(=O)
c1ccc(C)cc1)C(C)C - Molecular Weight1
- 459.70
- 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° | 17.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -731.30 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 66.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.65 | kJ/mol | Joback Calculated Property |
| log10WS | -9.40 | Crippen Calculated Property | |
| logPoct/wat | 7.774 | Crippen Calculated Property | |
| McVol | 414.700 | ml/mol | McGowan Calculated Property |
| Pc | 794.39 | kPa | Joback Calculated Property |
| Inp | [3439.00; 3439.00] |
|
|
| Inp | 3439.00 | NIST | |
| Inp | 3439.00 | NIST | |
| Tboil | 1074.03 | K | Joback Calculated Property |
| Tc | 1323.76 | K | Joback Calculated Property |
| Tfus | 600.28 | K | Joback Calculated Property |
| Vc | 1.605 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1466.14; 1552.75] | J/mol×K | [1074.03; 1323.76] |
|
| Cp,gas | 1466.14 | J/mol×K | 1074.03 | Joback Calculated Property |
| Cp,gas | 1484.67 | J/mol×K | 1115.65 | Joback Calculated Property |
| Cp,gas | 1501.40 | J/mol×K | 1157.27 | Joback Calculated Property |
| Cp,gas | 1516.45 | J/mol×K | 1198.90 | Joback Calculated Property |
| Cp,gas | 1529.95 | J/mol×K | 1240.52 | Joback Calculated Property |
| Cp,gas | 1542.01 | J/mol×K | 1282.14 | Joback Calculated Property |
| Cp,gas | 1552.75 | J/mol×K | 1323.76 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to L-Valine, N-(4-methylbenzoyl)-, hexadecyl ester.
Sources
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