- InChI
- InChI=1S/C22H34O4/c1-15(2)7-9-17(5)25-21(23)19-11-13-20(14-12-19)22(24)26-18(6)10-8-16(3)4/h11-18H,7-10H2,1-6H3
- InChI Key
- ZOQWJDQFSMAJRM-UHFFFAOYSA-N
- Formula
- C22H34O4
- SMILES
-
CC(C)CCC(C)OC(=O)c1ccc(C(=O)OC
(C)CCC(C)C)cc1 - Molecular Weight1
- 362.50
- 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° | -240.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -783.07 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.26 | kJ/mol | Joback Calculated Property |
| log10WS | -6.72 | Crippen Calculated Property | |
| logPoct/wat | 5.650 | Crippen Calculated Property | |
| McVol | 311.960 | ml/mol | McGowan Calculated Property |
| Pc | 1197.30 | kPa | Joback Calculated Property |
| Inp | [2791.00; 2791.00] |
|
|
| Inp | 2791.00 | NIST | |
| Inp | 2791.00 | NIST | |
| Tboil | 885.24 | K | Joback Calculated Property |
| Tc | 1093.62 | K | Joback Calculated Property |
| Tfus | 460.96 | K | Joback Calculated Property |
| Vc | 1.183 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [999.22; 1081.03] | J/mol×K | [885.24; 1093.62] |
|
| Cp,gas | 999.22 | J/mol×K | 885.24 | Joback Calculated Property |
| Cp,gas | 1016.10 | J/mol×K | 919.97 | Joback Calculated Property |
| Cp,gas | 1031.64 | J/mol×K | 954.70 | Joback Calculated Property |
| Cp,gas | 1045.88 | J/mol×K | 989.43 | Joback Calculated Property |
| Cp,gas | 1058.83 | J/mol×K | 1024.16 | Joback Calculated Property |
| Cp,gas | 1070.54 | J/mol×K | 1058.89 | Joback Calculated Property |
| Cp,gas | 1081.03 | J/mol×K | 1093.62 | Joback Calculated Property |
| η | [0.0000288; 0.0008484] | Pa×s | [460.96; 885.24] |
|
| η | 0.0008484 | Pa×s | 460.96 | Joback Calculated Property |
| η | 0.0003320 | Pa×s | 531.67 | Joback Calculated Property |
| η | 0.0001619 | Pa×s | 602.39 | Joback Calculated Property |
| η | 0.0000918 | Pa×s | 673.10 | Joback Calculated Property |
| η | 0.0000580 | Pa×s | 743.81 | Joback Calculated Property |
| η | 0.0000397 | Pa×s | 814.53 | Joback Calculated Property |
| η | 0.0000288 | Pa×s | 885.24 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Terephthalic acid, di(5-methylhex-2-yl) ester.
Sources
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