- InChI
- InChI=1S/C20H30O4/c1-7-17(13(3)4)23-19(21)15-9-11-16(12-10-15)20(22)24-18(8-2)14(5)6/h9-14,17-18H,7-8H2,1-6H3
- InChI Key
- NJBDOINDJMEHLD-UHFFFAOYSA-N
- Formula
- C20H30O4
- SMILES
-
CCC(OC(=O)c1ccc(C(=O)OC(CC)C(C
)C)cc1)C(C)C - Molecular Weight1
- 334.45
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.8455 | Relay (1.0) Calculated Property | |
| ΔfG° | -257.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -887.08 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.15 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.30 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.21 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.869 | Crippen Calculated Property | |
| McVol | 283.780 | ml/mol | McGowan Calculated Property |
| Pc | 1373.78 | kPa | Joback Calculated Property |
| Inp | 2209.00 | NIST | |
| Tboil | 627.07 | K | Relay (1.0) Calculated Property |
| Tc | 815.20 | K | Relay (1.0) Calculated Property |
| Tfus | 315.55 | K | Relay (1.0) Calculated Property |
| Vc | 1.032 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [879.79; 961.60] | J/mol×K | [839.48; 1047.32] | 
|
| Cp,gas | 879.79 | J/mol×K | 839.48 | Joback Calculated Property |
| Cp,gas | 896.49 | J/mol×K | 874.12 | Joback Calculated Property |
| Cp,gas | 911.94 | J/mol×K | 908.76 | Joback Calculated Property |
| Cp,gas | 926.15 | J/mol×K | 943.40 | Joback Calculated Property |
| Cp,gas | 939.15 | J/mol×K | 978.04 | Joback Calculated Property |
| Cp,gas | 950.96 | J/mol×K | 1012.68 | Joback Calculated Property |
| Cp,gas | 961.60 | J/mol×K | 1047.32 | Joback Calculated Property |
| η | [0.0000387; 0.0010900] | Pa×s | [438.42; 839.48] |
|
| η | 0.0010900 | Pa×s | 438.42 | Joback Calculated Property |
| η | 0.0004325 | Pa×s | 505.26 | Joback Calculated Property |
| η | 0.0002129 | Pa×s | 572.11 | Joback Calculated Property |
| η | 0.0001216 | Pa×s | 638.95 | Joback Calculated Property |
| η | 0.0000772 | Pa×s | 705.79 | Joback Calculated Property |
| η | 0.0000530 | Pa×s | 772.64 | Joback Calculated Property |
| η | 0.0000387 | Pa×s | 839.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Terephthalic acid, di(2-methylpent-3-yl) ester.
Sources
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