- InChI
- InChI=1S/C21H32O4/c1-6-7-10-13-24-19(22)17-11-8-9-12-18(17)20(23)25-15-16(2)14-21(3,4)5/h8-9,11-12,16H,6-7,10,13-15H2,1-5H3
- InChI Key
- BVYCQCOMDIIOIV-UHFFFAOYSA-N
- Formula
- C21H32O4
- SMILES
-
CCCCCOC(=O)c1ccccc1C(=O)OCC(C)
CC(C)(C)C - Molecular Weight1
- 348.48
- 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° | -238.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -755.34 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.91 | kJ/mol | Joback Calculated Property |
| log10WS | -6.08 | Crippen Calculated Property | |
| logPoct/wat | 5.263 | Crippen Calculated Property | |
| McVol | 297.870 | ml/mol | McGowan Calculated Property |
| Pc | 1276.42 | kPa | Joback Calculated Property |
| Inp | 2281.00 | NIST | |
| Tboil | 860.45 | K | Joback Calculated Property |
| Tc | 1067.71 | K | Joback Calculated Property |
| Tfus | 497.11 | K | Joback Calculated Property |
| Vc | 1.135 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [938.43; 1020.73] | J/mol×K | [860.45; 1067.71] | 
|
| Cp,gas | 938.43 | J/mol×K | 860.45 | Joback Calculated Property |
| Cp,gas | 955.02 | J/mol×K | 894.99 | Joback Calculated Property |
| Cp,gas | 970.40 | J/mol×K | 929.54 | Joback Calculated Property |
| Cp,gas | 984.62 | J/mol×K | 964.08 | Joback Calculated Property |
| Cp,gas | 997.72 | J/mol×K | 998.62 | Joback Calculated Property |
| Cp,gas | 1009.74 | J/mol×K | 1033.16 | Joback Calculated Property |
| Cp,gas | 1020.73 | J/mol×K | 1067.71 | Joback Calculated Property |
| η | [0.0000343; 0.0005578] | Pa×s | [497.11; 860.45] |
|
| η | 0.0005578 | Pa×s | 497.11 | Joback Calculated Property |
| η | 0.0002722 | Pa×s | 557.67 | Joback Calculated Property |
| η | 0.0001529 | Pa×s | 618.22 | Joback Calculated Property |
| η | 0.0000952 | Pa×s | 678.78 | Joback Calculated Property |
| η | 0.0000640 | Pa×s | 739.34 | Joback Calculated Property |
| η | 0.0000457 | Pa×s | 799.89 | Joback Calculated Property |
| η | 0.0000343 | Pa×s | 860.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, pentyl 2,4,4-trimethylpentyl ester.
Sources
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