- InChI
- InChI=1S/C23H36O4/c1-6-7-8-9-12-15-26-21(24)19-13-10-11-14-20(19)22(25)27-17-18(2)16-23(3,4)5/h10-11,13-14,18H,6-9,12,15-17H2,1-5H3
- InChI Key
- XQYDQBNIBAWVLZ-UHFFFAOYSA-N
- Formula
- C23H36O4
- SMILES
-
CCCCCCCOC(=O)c1ccccc1C(=O)OCC(
C)CC(C)(C)C - Molecular Weight1
- 376.53
- 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° | -221.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -796.62 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.36 | kJ/mol | Joback Calculated Property |
| log10WS | -6.91 | Crippen Calculated Property | |
| logPoct/wat | 6.043 | Crippen Calculated Property | |
| McVol | 326.050 | ml/mol | McGowan Calculated Property |
| Pc | 1117.81 | kPa | Joback Calculated Property |
| Inp | 2482.00 | NIST | |
| Tboil | 906.21 | K | Joback Calculated Property |
| Tc | 1115.53 | K | Joback Calculated Property |
| Tfus | 519.65 | K | Joback Calculated Property |
| Vc | 1.246 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1058.87; 1142.12] | J/mol×K | [906.21; 1115.53] | 
|
| Cp,gas | 1058.87 | J/mol×K | 906.21 | Joback Calculated Property |
| Cp,gas | 1075.76 | J/mol×K | 941.10 | Joback Calculated Property |
| Cp,gas | 1091.37 | J/mol×K | 975.98 | Joback Calculated Property |
| Cp,gas | 1105.75 | J/mol×K | 1010.87 | Joback Calculated Property |
| Cp,gas | 1118.97 | J/mol×K | 1045.76 | Joback Calculated Property |
| Cp,gas | 1131.08 | J/mol×K | 1080.64 | Joback Calculated Property |
| Cp,gas | 1142.12 | J/mol×K | 1115.53 | Joback Calculated Property |
| η | [0.0000252; 0.0004367] | Pa×s | [519.65; 906.21] |
|
| η | 0.0004367 | Pa×s | 519.65 | Joback Calculated Property |
| η | 0.0002089 | Pa×s | 584.08 | Joback Calculated Property |
| η | 0.0001157 | Pa×s | 648.50 | Joback Calculated Property |
| η | 0.0000713 | Pa×s | 712.93 | Joback Calculated Property |
| η | 0.0000476 | Pa×s | 777.36 | Joback Calculated Property |
| η | 0.0000338 | Pa×s | 841.78 | Joback Calculated Property |
| η | 0.0000252 | Pa×s | 906.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, heptyl 2,4,4-trimethylpentyl ester.
Sources
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