- InChI
- InChI=1S/C29H49NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-34-29(32)27(24(2)3)30-28(31)25-21-18-19-22-26(25)33-4/h18-19,21-22,24,27H,5-17,20,23H2,1-4H3,(H,30,31)
- InChI Key
- QZXDGETZVVCEMQ-UHFFFAOYSA-N
- Formula
- C29H49NO4
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)C(NC(=O)
c1ccccc1OC)C(C)C - Molecular Weight1
- 475.70
- 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° | -87.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -863.52 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 68.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 107.06 | kJ/mol | Joback Calculated Property |
| log10WS | -9.04 | Crippen Calculated Property | |
| logPoct/wat | 7.474 | Crippen Calculated Property | |
| McVol | 420.570 | ml/mol | McGowan Calculated Property |
| Pc | 786.83 | kPa | Joback Calculated Property |
| Inp | [3564.00; 3564.00] |
|
|
| Inp | 3564.00 | NIST | |
| Inp | 3564.00 | NIST | |
| Tboil | 1096.45 | K | Joback Calculated Property |
| Tc | 1356.02 | K | Joback Calculated Property |
| Tfus | 622.51 | K | Joback Calculated Property |
| Vc | 1.623 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1493.76; 1567.50] | J/mol×K | [1096.45; 1356.02] |
|
| Cp,gas | 1493.76 | J/mol×K | 1096.45 | Joback Calculated Property |
| Cp,gas | 1511.07 | J/mol×K | 1139.71 | Joback Calculated Property |
| Cp,gas | 1526.23 | J/mol×K | 1182.97 | Joback Calculated Property |
| Cp,gas | 1539.35 | J/mol×K | 1226.23 | Joback Calculated Property |
| Cp,gas | 1550.53 | J/mol×K | 1269.50 | Joback Calculated Property |
| Cp,gas | 1559.88 | J/mol×K | 1312.76 | Joback Calculated Property |
| Cp,gas | 1567.50 | J/mol×K | 1356.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to L-Valine, N-(2-methoxybenzoyl)-, hexadecyl ester.
Sources
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