- InChI
- InChI=1S/C19H36O4/c1-5-7-12-17(6-2)23-19(21)14-9-8-13-18(20)22-15-10-11-16(3)4/h16-17H,5-15H2,1-4H3
- InChI Key
- LYLBCTVAZAUWTQ-UHFFFAOYSA-N
- Formula
- C19H36O4
- SMILES
-
CCCCC(CC)OC(=O)CCCCC(=O)OCCCC(
C)C - Molecular Weight1
- 328.49
- 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° | -363.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -935.65 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.42 | kJ/mol | Joback Calculated Property |
| log10WS | -5.37 | Crippen Calculated Property | |
| logPoct/wat | 5.038 | Crippen Calculated Property | |
| McVol | 293.450 | ml/mol | McGowan Calculated Property |
| Pc | 1161.66 | kPa | Joback Calculated Property |
| Inp | [2097.00; 2097.00] |
|
|
| Inp | 2097.00 | NIST | |
| Inp | 2097.00 | NIST | |
| Tboil | 785.82 | K | Joback Calculated Property |
| Tc | 968.88 | K | Joback Calculated Property |
| Tfus | 418.21 | K | Joback Calculated Property |
| Vc | 1.135 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [909.87; 1003.26] | J/mol×K | [785.82; 968.88] |
|
| Cp,gas | 909.87 | J/mol×K | 785.82 | Joback Calculated Property |
| Cp,gas | 927.92 | J/mol×K | 816.33 | Joback Calculated Property |
| Cp,gas | 944.96 | J/mol×K | 846.84 | Joback Calculated Property |
| Cp,gas | 961.00 | J/mol×K | 877.35 | Joback Calculated Property |
| Cp,gas | 976.05 | J/mol×K | 907.86 | Joback Calculated Property |
| Cp,gas | 990.13 | J/mol×K | 938.37 | Joback Calculated Property |
| Cp,gas | 1003.26 | J/mol×K | 968.88 | Joback Calculated Property |
| η | [0.0000520; 0.0013492] | Pa×s | [418.21; 785.82] |
|
| η | 0.0013492 | Pa×s | 418.21 | Joback Calculated Property |
| η | 0.0005543 | Pa×s | 479.48 | Joback Calculated Property |
| η | 0.0002785 | Pa×s | 540.75 | Joback Calculated Property |
| η | 0.0001610 | Pa×s | 602.01 | Joback Calculated Property |
| η | 0.0001030 | Pa×s | 663.28 | Joback Calculated Property |
| η | 0.0000711 | Pa×s | 724.55 | Joback Calculated Property |
| η | 0.0000520 | Pa×s | 785.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, 3-heptyl isohexyl ester.
Sources
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