- InChI
- InChI=1S/C17H30O4/c1-4-5-8-13-20-16(18)11-6-7-12-17(19)21-14-9-10-15(2)3/h4,15H,1,5-14H2,2-3H3
- InChI Key
- DQGXHUOVOKREPW-UHFFFAOYSA-N
- Formula
- C17H30O4
- SMILES
- C=CCCCOC(=O)CCCCC(=O)OCCCC(C)C
- Molecular Weight1
- 298.42
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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° | -290.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -763.66 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.69 | kJ/mol | Joback Calculated Property |
| log10WS | -4.28 | Crippen Calculated Property | |
| logPoct/wat | 4.036 | Crippen Calculated Property | |
| McVol | 260.970 | ml/mol | McGowan Calculated Property |
| Pc | 1363.65 | kPa | Joback Calculated Property |
| Inp | [2012.00; 2012.00] |
|
|
| Inp | 2012.00 | NIST | |
| Inp | 2012.00 | NIST | |
| Tboil | 737.18 | K | Joback Calculated Property |
| Tc | 917.39 | K | Joback Calculated Property |
| Tfus | 408.91 | K | Joback Calculated Property |
| Vc | 1.010 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [766.33; 853.40] | J/mol×K | [737.18; 917.39] |
|
| Cp,gas | 766.33 | J/mol×K | 737.18 | Joback Calculated Property |
| Cp,gas | 782.97 | J/mol×K | 767.22 | Joback Calculated Property |
| Cp,gas | 798.75 | J/mol×K | 797.25 | Joback Calculated Property |
| Cp,gas | 813.66 | J/mol×K | 827.29 | Joback Calculated Property |
| Cp,gas | 827.74 | J/mol×K | 857.32 | Joback Calculated Property |
| Cp,gas | 840.98 | J/mol×K | 887.36 | Joback Calculated Property |
| Cp,gas | 853.40 | J/mol×K | 917.39 | Joback Calculated Property |
| η | [0.0000793; 0.0013750] | Pa×s | [408.91; 737.18] |
|
| η | 0.0013750 | Pa×s | 408.91 | Joback Calculated Property |
| η | 0.0006455 | Pa×s | 463.62 | Joback Calculated Property |
| η | 0.0003555 | Pa×s | 518.33 | Joback Calculated Property |
| η | 0.0002194 | Pa×s | 573.04 | Joback Calculated Property |
| η | 0.0001473 | Pa×s | 627.76 | Joback Calculated Property |
| η | 0.0001054 | Pa×s | 682.47 | Joback Calculated Property |
| η | 0.0000793 | Pa×s | 737.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, isohexyl pent-4-enyl ester.
Sources
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