- InChI
- InChI=1S/C18H34O4/c1-14(2)9-8-12-21-17(19)10-6-7-11-18(20)22-16(5)13-15(3)4/h14-16H,6-13H2,1-5H3
- InChI Key
- JOAOJJJTRPWSEV-UHFFFAOYSA-N
- Formula
- C18H34O4
- SMILES
-
CC(C)CCCOC(=O)CCCCC(=O)OC(C)CC
(C)C - Molecular Weight1
- 314.46
- 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 | 0.8750 | Relay (1.0) Calculated Property | |
| ΔfG° | -374.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1087.41 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.49 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.46 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.17 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.504 | Crippen Calculated Property | |
| McVol | 279.360 | ml/mol | McGowan Calculated Property |
| Pc | 1248.61 | kPa | Joback Calculated Property |
| Inp | 1974.00 | NIST | |
| Tboil | 579.01 | K | Relay (1.0) Calculated Property |
| Tc | 747.62 | K | Relay (1.0) Calculated Property |
| Tfus | 243.49 | K | Relay (1.0) Calculated Property |
| Vc | 1.055 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [850.95; 943.60] | J/mol×K | [762.50; 945.56] | 
|
| Cp,gas | 850.95 | J/mol×K | 762.50 | Joback Calculated Property |
| Cp,gas | 868.82 | J/mol×K | 793.01 | Joback Calculated Property |
| Cp,gas | 885.70 | J/mol×K | 823.52 | Joback Calculated Property |
| Cp,gas | 901.60 | J/mol×K | 854.03 | Joback Calculated Property |
| Cp,gas | 916.55 | J/mol×K | 884.54 | Joback Calculated Property |
| Cp,gas | 930.54 | J/mol×K | 915.05 | Joback Calculated Property |
| Cp,gas | 943.60 | J/mol×K | 945.56 | Joback Calculated Property |
| η | [0.0000552; 0.0019037] | Pa×s | [391.94; 762.50] |
|
| η | 0.0019037 | Pa×s | 391.94 | Joback Calculated Property |
| η | 0.0007062 | Pa×s | 453.70 | Joback Calculated Property |
| η | 0.0003322 | Pa×s | 515.46 | Joback Calculated Property |
| η | 0.0001837 | Pa×s | 577.22 | Joback Calculated Property |
| η | 0.0001139 | Pa×s | 638.98 | Joback Calculated Property |
| η | 0.0000768 | Pa×s | 700.74 | Joback Calculated Property |
| η | 0.0000552 | Pa×s | 762.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, isohexyl 4-methylpent-2-yl ester.
Sources
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