- InChI
- InChI=1S/C20H36N2O5/c1-9-11-12-13-27-19(24)17(15(5)6)21(7)18(23)16(14(3)4)22(8)20(25)26-10-2/h10,14-17H,2,9,11-13H2,1,3-8H3
- InChI Key
- LYQKPQFXPHEWRG-UHFFFAOYSA-N
- Formula
- C20H36N2O5
- SMILES
-
C=COC(=O)N(C)C(C(=O)N(C)C(C(=O
)OCCCCC)C(C)C)C(C)C - Molecular Weight1
- 384.51
- 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° | -179.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -818.94 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.04 | kJ/mol | Joback Calculated Property |
| log10WS | -3.90 | Crippen Calculated Property | |
| logPoct/wat | 3.439 | Crippen Calculated Property | |
| McVol | 324.770 | ml/mol | McGowan Calculated Property |
| Pc | 1178.47 | kPa | Joback Calculated Property |
| Inp | [2198.00; 2198.00] |
|
|
| Inp | 2198.00 | NIST | |
| Inp | 2198.00 | NIST | |
| Tboil | 883.25 | K | Joback Calculated Property |
| Tc | 1083.16 | K | Joback Calculated Property |
| Tfus | 512.59 | K | Joback Calculated Property |
| Vc | 1.202 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1051.98; 1134.09] | J/mol×K | [883.25; 1083.16] |
|
| Cp,gas | 1051.98 | J/mol×K | 883.25 | Joback Calculated Property |
| Cp,gas | 1068.59 | J/mol×K | 916.57 | Joback Calculated Property |
| Cp,gas | 1083.98 | J/mol×K | 949.89 | Joback Calculated Property |
| Cp,gas | 1098.18 | J/mol×K | 983.21 | Joback Calculated Property |
| Cp,gas | 1111.24 | J/mol×K | 1016.52 | Joback Calculated Property |
| Cp,gas | 1123.20 | J/mol×K | 1049.84 | Joback Calculated Property |
| Cp,gas | 1134.09 | J/mol×K | 1083.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to DL-Valyl-DL-Valine, N,N'-dimethyl-N'-vinyloxycarbonyl-, pentyl ester.
Sources
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