- InChI
- InChI=1S/C25H32O4/c1-17(2)11-10-16-28-23(26)19-13-7-8-14-20(19)24(27)29-22-18(3)12-9-15-21(22)25(4,5)6/h7-9,12-15,17H,10-11,16H2,1-6H3
- InChI Key
- YNRWOVREAWBHCV-UHFFFAOYSA-N
- Formula
- C25H32O4
- SMILES
-
Cc1cccc(C(C)(C)C)c1OC(=O)c1ccc
cc1C(=O)OCCCC(C)C - Molecular Weight1
- 396.52
- 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° | -111.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -624.31 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.41 | kJ/mol | Joback Calculated Property |
| log10WS | -7.44 | Crippen Calculated Property | |
| logPoct/wat | 6.105 | Crippen Calculated Property | |
| McVol | 330.470 | ml/mol | McGowan Calculated Property |
| Pc | 1203.96 | kPa | Joback Calculated Property |
| Inp | 2687.00 | NIST | |
| Tboil | 988.61 | K | Joback Calculated Property |
| Tc | 1219.80 | K | Joback Calculated Property |
| Tfus | 593.65 | K | Joback Calculated Property |
| Vc | 1.250 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1075.53; 1142.85] | J/mol×K | [988.61; 1219.80] | 
|
| Cp,gas | 1075.53 | J/mol×K | 988.61 | Joback Calculated Property |
| Cp,gas | 1090.05 | J/mol×K | 1027.14 | Joback Calculated Property |
| Cp,gas | 1103.17 | J/mol×K | 1065.67 | Joback Calculated Property |
| Cp,gas | 1114.93 | J/mol×K | 1104.20 | Joback Calculated Property |
| Cp,gas | 1125.42 | J/mol×K | 1142.74 | Joback Calculated Property |
| Cp,gas | 1134.70 | J/mol×K | 1181.27 | Joback Calculated Property |
| Cp,gas | 1142.85 | J/mol×K | 1219.80 | Joback Calculated Property |
| η | [0.0000198; 0.0002224] | Pa×s | [593.65; 988.61] |
|
| η | 0.0002224 | Pa×s | 593.65 | Joback Calculated Property |
| η | 0.0001216 | Pa×s | 659.48 | Joback Calculated Property |
| η | 0.0000742 | Pa×s | 725.30 | Joback Calculated Property |
| η | 0.0000491 | Pa×s | 791.13 | Joback Calculated Property |
| η | 0.0000347 | Pa×s | 856.96 | Joback Calculated Property |
| η | 0.0000257 | Pa×s | 922.78 | Joback Calculated Property |
| η | 0.0000198 | Pa×s | 988.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, isohexyl 2-tert-butyl-6-methylphenyl ester.
Sources
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