- InChI
- InChI=1S/C27H36O4/c1-6-7-8-9-10-13-19-30-25(28)21-16-11-12-17-22(21)26(29)31-24-20(2)15-14-18-23(24)27(3,4)5/h11-12,14-18H,6-10,13,19H2,1-5H3
- InChI Key
- CGGZLIMNNFRERI-UHFFFAOYSA-N
- Formula
- C27H36O4
- SMILES
-
CCCCCCCCOC(=O)c1ccccc1C(=O)Oc1
c(C)cccc1C(C)(C)C - Molecular Weight1
- 424.57
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -92.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -660.31 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 50.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.25 | kJ/mol | Joback Calculated Property |
| log10WS | -8.52 | Crippen Calculated Property | |
| logPoct/wat | 7.029 | Crippen Calculated Property | |
| McVol | 358.650 | ml/mol | McGowan Calculated Property |
| Pc | 1052.77 | kPa | Joback Calculated Property |
| Inp | [2926.00; 2926.00] |
|
|
| Inp | 2926.00 | NIST | |
| Inp | 2926.00 | NIST | |
| Tboil | 1034.81 | K | Joback Calculated Property |
| Tc | 1268.75 | K | Joback Calculated Property |
| Tfus | 631.19 | K | Joback Calculated Property |
| Vc | 1.369 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1196.97; 1264.74] | J/mol×K | [1034.81; 1268.75] |
|
| Cp,gas | 1196.97 | J/mol×K | 1034.81 | Joback Calculated Property |
| Cp,gas | 1211.61 | J/mol×K | 1073.80 | Joback Calculated Property |
| Cp,gas | 1224.80 | J/mol×K | 1112.79 | Joback Calculated Property |
| Cp,gas | 1236.63 | J/mol×K | 1151.78 | Joback Calculated Property |
| Cp,gas | 1247.17 | J/mol×K | 1190.77 | Joback Calculated Property |
| Cp,gas | 1256.51 | J/mol×K | 1229.76 | Joback Calculated Property |
| Cp,gas | 1264.74 | J/mol×K | 1268.75 | Joback Calculated Property |
| η | [0.0000160; 0.0001620] | Pa×s | [631.19; 1034.81] |
|
| η | 0.0001620 | Pa×s | 631.19 | Joback Calculated Property |
| η | 0.0000915 | Pa×s | 698.46 | Joback Calculated Property |
| η | 0.0000571 | Pa×s | 765.73 | Joback Calculated Property |
| η | 0.0000385 | Pa×s | 833.00 | Joback Calculated Property |
| η | 0.0000275 | Pa×s | 900.27 | Joback Calculated Property |
| η | 0.0000206 | Pa×s | 967.54 | Joback Calculated Property |
| η | 0.0000160 | Pa×s | 1034.81 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, octyl 2-tert-butyl-6-methylphenyl ester.
Sources
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