- InChI
- InChI=1S/C20H30O4/c1-6-18(15(4)5)24-20(22)17-12-8-7-11-16(17)19(21)23-13-9-10-14(2)3/h7-8,11-12,14-15,18H,6,9-10,13H2,1-5H3
- InChI Key
- HPLMCZUELNULEI-UHFFFAOYSA-N
- Formula
- C20H30O4
- SMILES
-
CCC(OC(=O)c1ccccc1C(=O)OCCCC(C
)C)C(C)C - Molecular Weight1
- 334.45
- 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° | -254.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -736.51 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.20 | kJ/mol | Joback Calculated Property |
| log10WS | -5.77 | Crippen Calculated Property | |
| logPoct/wat | 4.871 | Crippen Calculated Property | |
| McVol | 283.780 | ml/mol | McGowan Calculated Property |
| Pc | 1365.67 | kPa | Joback Calculated Property |
| Inp | [2180.00; 2180.00] |
|
|
| Inp | 2180.00 | NIST | |
| Inp | 2180.00 | NIST | |
| Tboil | 839.92 | K | Joback Calculated Property |
| Tc | 1045.58 | K | Joback Calculated Property |
| Tfus | 453.42 | K | Joback Calculated Property |
| Vc | 1.077 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [879.27; 960.66] | J/mol×K | [839.92; 1045.58] |
|
| Cp,gas | 879.27 | J/mol×K | 839.92 | Joback Calculated Property |
| Cp,gas | 895.82 | J/mol×K | 874.20 | Joback Calculated Property |
| Cp,gas | 911.14 | J/mol×K | 908.47 | Joback Calculated Property |
| Cp,gas | 925.26 | J/mol×K | 942.75 | Joback Calculated Property |
| Cp,gas | 938.21 | J/mol×K | 977.03 | Joback Calculated Property |
| Cp,gas | 950.00 | J/mol×K | 1011.30 | Joback Calculated Property |
| Cp,gas | 960.66 | J/mol×K | 1045.58 | Joback Calculated Property |
| η | [0.0000422; 0.0009099] | Pa×s | [453.42; 839.92] |
|
| η | 0.0009099 | Pa×s | 453.42 | Joback Calculated Property |
| η | 0.0003967 | Pa×s | 517.84 | Joback Calculated Property |
| η | 0.0002078 | Pa×s | 582.25 | Joback Calculated Property |
| η | 0.0001239 | Pa×s | 646.67 | Joback Calculated Property |
| η | 0.0000811 | Pa×s | 711.09 | Joback Calculated Property |
| η | 0.0000569 | Pa×s | 775.50 | Joback Calculated Property |
| η | 0.0000422 | Pa×s | 839.92 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, isohexyl 2-methylpent-3-yl ester.
Sources
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