- InChI
- InChI=1S/C22H34O4/c1-16(2)10-9-15-25-19(23)13-8-14-20(24)26-21-17(3)11-7-12-18(21)22(4,5)6/h7,11-12,16H,8-10,13-15H2,1-6H3
- InChI Key
- CYXKAPIEUFSXRI-UHFFFAOYSA-N
- Formula
- C22H34O4
- SMILES
-
Cc1cccc(C(C)(C)C)c1OC(=O)CCCC(
=O)OCCCC(C)C - Molecular Weight1
- 362.50
- 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 | 0.9306 | Relay (1.0) Calculated Property | |
| ΔfG° | -239.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -906.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.07 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.19 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.37 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.348 | Crippen Calculated Property | |
| McVol | 311.960 | ml/mol | McGowan Calculated Property |
| Pc | 1180.90 | kPa | Joback Calculated Property |
| Inp | 2520.00 | NIST | |
| Tboil | 635.58 | K | Relay (1.0) Calculated Property |
| Tc | 845.48 | K | Relay (1.0) Calculated Property |
| Tfus | 290.83 | K | Relay (1.0) Calculated Property |
| Vc | 1.153 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [997.71; 1079.71] | J/mol×K | [888.31; 1097.09] | 
|
| Cp,gas | 997.71 | J/mol×K | 888.31 | Joback Calculated Property |
| Cp,gas | 1014.35 | J/mol×K | 923.11 | Joback Calculated Property |
| Cp,gas | 1029.75 | J/mol×K | 957.90 | Joback Calculated Property |
| Cp,gas | 1043.94 | J/mol×K | 992.70 | Joback Calculated Property |
| Cp,gas | 1056.97 | J/mol×K | 1027.49 | Joback Calculated Property |
| Cp,gas | 1068.88 | J/mol×K | 1062.29 | Joback Calculated Property |
| Cp,gas | 1079.71 | J/mol×K | 1097.09 | Joback Calculated Property |
| η | [0.0000299; 0.0004195] | Pa×s | [520.90; 888.31] |
|
| η | 0.0004195 | Pa×s | 520.90 | Joback Calculated Property |
| η | 0.0002142 | Pa×s | 582.13 | Joback Calculated Property |
| η | 0.0001243 | Pa×s | 643.37 | Joback Calculated Property |
| η | 0.0000793 | Pa×s | 704.61 | Joback Calculated Property |
| η | 0.0000544 | Pa×s | 765.84 | Joback Calculated Property |
| η | 0.0000394 | Pa×s | 827.07 | Joback Calculated Property |
| η | 0.0000299 | Pa×s | 888.31 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, isohexyl 2-tert-butyl-6-methylphenyl ester.
Sources
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