- InChI
- InChI=1S/C20H30O4/c1-14(2)13-23-17(21)11-8-12-18(22)24-19-15(3)9-7-10-16(19)20(4,5)6/h7,9-10,14H,8,11-13H2,1-6H3
- InChI Key
- CYBUQWKLVCIIFA-UHFFFAOYSA-N
- Formula
- C20H30O4
- SMILES
-
Cc1cccc(C(C)(C)C)c1OC(=O)CCCC(
=O)OCC(C)C - Molecular Weight1
- 334.45
- 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 | 0.8582 | Relay (1.0) Calculated Property | |
| ΔfG° | -256.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -861.31 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.16 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.19 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.74 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.567 | Crippen Calculated Property | |
| McVol | 283.780 | ml/mol | McGowan Calculated Property |
| Pc | 1353.63 | kPa | Joback Calculated Property |
| Inp | 2350.00 | NIST | |
| Tboil | 621.05 | K | Relay (1.0) Calculated Property |
| Tc | 826.27 | K | Relay (1.0) Calculated Property |
| Tfus | 291.44 | K | Relay (1.0) Calculated Property |
| Vc | 1.051 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [878.59; 959.72] | J/mol×K | [842.55; 1050.69] | 
|
| Cp,gas | 878.59 | J/mol×K | 842.55 | Joback Calculated Property |
| Cp,gas | 894.95 | J/mol×K | 877.24 | Joback Calculated Property |
| Cp,gas | 910.13 | J/mol×K | 911.93 | Joback Calculated Property |
| Cp,gas | 924.16 | J/mol×K | 946.62 | Joback Calculated Property |
| Cp,gas | 937.07 | J/mol×K | 981.31 | Joback Calculated Property |
| Cp,gas | 948.92 | J/mol×K | 1016.00 | Joback Calculated Property |
| Cp,gas | 959.72 | J/mol×K | 1050.69 | Joback Calculated Property |
| η | [0.0000402; 0.0005272] | Pa×s | [498.36; 842.55] |
|
| η | 0.0005272 | Pa×s | 498.36 | Joback Calculated Property |
| η | 0.0002752 | Pa×s | 555.72 | Joback Calculated Property |
| η | 0.0001622 | Pa×s | 613.09 | Joback Calculated Property |
| η | 0.0001046 | Pa×s | 670.45 | Joback Calculated Property |
| η | 0.0000724 | Pa×s | 727.82 | Joback Calculated Property |
| η | 0.0000528 | Pa×s | 785.18 | Joback Calculated Property |
| η | 0.0000402 | Pa×s | 842.55 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, isobutyl 2-tert-butyl-6-methylphenyl ester.
Sources
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