- InChI
- InChI=1S/C20H38O4/c1-5-7-9-13-17(3)23-19(21)15-11-12-16-20(22)24-18(4)14-10-8-6-2/h17-18H,5-16H2,1-4H3
- InChI Key
- HXEQAVFXRNYRDT-UHFFFAOYSA-N
- Formula
- C20H38O4
- SMILES
-
CCCCCC(C)OC(=O)CCCCC(=O)OC(C)C
CCCC - Molecular Weight1
- 342.51
- Other Names
-
- di-(1-Methylhexyl)adipate
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.9675 | Relay (1.0) Calculated Property | |
| ΔfG° | -355.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1117.65 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.07 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.49 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.84 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.571 | Crippen Calculated Property | |
| McVol | 307.540 | ml/mol | McGowan Calculated Property |
| Pc | 1089.22 | kPa | Joback Calculated Property |
| Inp | [2138.00; 2162.00] |
|
|
| Inp | 2162.00 | NIST | |
| Inp | 2138.00 | NIST | |
| Inp | 2138.00 | NIST | |
| Tboil | 588.68 | K | Relay (1.0) Calculated Property |
| Tc | 763.34 | K | Relay (1.0) Calculated Property |
| Tfus | 256.49 | K | Relay (1.0) Calculated Property |
| Vc | 1.181 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [970.14; 1064.82] | J/mol×K | [808.70; 994.02] |
|
| Cp,gas | 970.14 | J/mol×K | 808.70 | Joback Calculated Property |
| Cp,gas | 988.55 | J/mol×K | 839.59 | Joback Calculated Property |
| Cp,gas | 1005.89 | J/mol×K | 870.47 | Joback Calculated Property |
| Cp,gas | 1022.17 | J/mol×K | 901.36 | Joback Calculated Property |
| Cp,gas | 1037.40 | J/mol×K | 932.24 | Joback Calculated Property |
| Cp,gas | 1051.61 | J/mol×K | 963.13 | Joback Calculated Property |
| Cp,gas | 1064.82 | J/mol×K | 994.02 | Joback Calculated Property |
| η | [0.0000449; 0.0011959] | Pa×s | [429.48; 808.70] |
|
| η | 0.0011959 | Pa×s | 429.48 | Joback Calculated Property |
| η | 0.0004873 | Pa×s | 492.68 | Joback Calculated Property |
| η | 0.0002435 | Pa×s | 555.89 | Joback Calculated Property |
| η | 0.0001402 | Pa×s | 619.09 | Joback Calculated Property |
| η | 0.0000894 | Pa×s | 682.29 | Joback Calculated Property |
| η | 0.0000615 | Pa×s | 745.50 | Joback Calculated Property |
| η | 0.0000449 | Pa×s | 808.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, di(2-heptyl) ester.
Sources
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