- InChI
- InChI=1S/C22H42O4/c1-5-7-9-11-15-19(3)25-21(23)17-13-14-18-22(24)26-20(4)16-12-10-8-6-2/h19-20H,5-18H2,1-4H3
- InChI Key
- RTUMJAGKSDIHOW-UHFFFAOYSA-N
- Formula
- C22H42O4
- SMILES
-
CCCCCCC(C)OC(=O)CCCCC(=O)OC(C)
CCCCCC - Molecular Weight1
- 370.57
- Other Names
-
- bis(1-methylheptyl) 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).
- 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 | 1.0381 | Relay (1.0) Calculated Property | |
| ΔfG° | -491.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1154.67 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 54.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.78 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.50 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.47 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.351 | Crippen Calculated Property | |
| McVol | 335.720 | ml/mol | McGowan Calculated Property |
| Pc | 916.05 | kPa | Joback Calculated Property |
| Tboil | 604.09 | K | Relay (1.0) Calculated Property |
| Tc | 784.51 | K | Relay (1.0) Calculated Property |
| Tfus | 266.73 | K | Relay (1.0) Calculated Property |
| Vc | 1.293 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1075.02; 1173.05] | J/mol×K | [818.52; 1003.40] | 
|
| Cp,gas | 1075.02 | J/mol×K | 818.52 | Joback Calculated Property |
| Cp,gas | 1094.34 | J/mol×K | 849.33 | Joback Calculated Property |
| Cp,gas | 1112.44 | J/mol×K | 880.15 | Joback Calculated Property |
| Cp,gas | 1129.33 | J/mol×K | 910.96 | Joback Calculated Property |
| Cp,gas | 1145.05 | J/mol×K | 941.77 | Joback Calculated Property |
| Cp,gas | 1159.62 | J/mol×K | 972.58 | Joback Calculated Property |
| Cp,gas | 1173.05 | J/mol×K | 1003.40 | Joback Calculated Property |
| η | [0.0000261; 0.0019174] | Pa×s | [392.36; 818.52] |
|
| η | 0.0019174 | Pa×s | 392.36 | Joback Calculated Property |
| η | 0.0005414 | Pa×s | 463.39 | Joback Calculated Property |
| η | 0.0002140 | Pa×s | 534.41 | Joback Calculated Property |
| η | 0.0001051 | Pa×s | 605.44 | Joback Calculated Property |
| η | 0.0000600 | Pa×s | 676.47 | Joback Calculated Property |
| η | 0.0000381 | Pa×s | 747.49 | Joback Calculated Property |
| η | 0.0000261 | Pa×s | 818.52 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexanedioic acid, diisooctyl ester.
Sources
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