- InChI
- InChI=1S/C23H42N2O5/c1-9-11-12-13-14-15-16-30-22(27)20(18(5)6)24(7)21(26)19(17(3)4)25(8)23(28)29-10-2/h10,17-20H,2,9,11-16H2,1,3-8H3
- InChI Key
- AZSKSRRPAYNWDJ-UHFFFAOYSA-N
- Formula
- C23H42N2O5
- SMILES
-
C=COC(=O)N(C)C(C(=O)N(C)C(C(=O
)OCCCCCCCC)C(C)C)C(C)C - Molecular Weight1
- 426.59
- 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° | -154.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -880.86 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 53.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.71 | kJ/mol | Joback Calculated Property |
| log10WS | -5.16 | Crippen Calculated Property | |
| logPoct/wat | 4.610 | Crippen Calculated Property | |
| McVol | 367.040 | ml/mol | McGowan Calculated Property |
| Pc | 975.95 | kPa | Joback Calculated Property |
| Inp | [2507.00; 2507.00] |
|
|
| Inp | 2507.00 | NIST | |
| Inp | 2507.00 | NIST | |
| Tboil | 951.89 | K | Joback Calculated Property |
| Tc | 1165.93 | K | Joback Calculated Property |
| Tfus | 546.40 | K | Joback Calculated Property |
| Vc | 1.371 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1236.34; 1321.09] | J/mol×K | [951.89; 1165.93] |
|
| Cp,gas | 1236.34 | J/mol×K | 951.89 | Joback Calculated Property |
| Cp,gas | 1253.90 | J/mol×K | 987.56 | Joback Calculated Property |
| Cp,gas | 1270.01 | J/mol×K | 1023.24 | Joback Calculated Property |
| Cp,gas | 1284.72 | J/mol×K | 1058.91 | Joback Calculated Property |
| Cp,gas | 1298.10 | J/mol×K | 1094.59 | Joback Calculated Property |
| Cp,gas | 1310.21 | J/mol×K | 1130.26 | Joback Calculated Property |
| Cp,gas | 1321.09 | J/mol×K | 1165.93 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to DL-Valyl-DL-Valine, N,N'-dimethyl-N'-vinyloxycarbonyl-, octyl ester.
Sources
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