- InChI
- InChI=1S/C23H36O4/c1-5-7-8-9-10-11-12-17-26-22(24)19-13-15-20(16-14-19)23(25)27-21(6-2)18(3)4/h13-16,18,21H,5-12,17H2,1-4H3
- InChI Key
- AVGRHDKCYPNXKT-UHFFFAOYSA-N
- Formula
- C23H36O4
- SMILES
-
CCCCCCCCCOC(=O)c1ccc(C(=O)OC(C
C)C(C)C)cc1 - Molecular Weight1
- 376.53
- 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 | 1.0483 | Relay (1.0) Calculated Property | |
| ΔfG° | -227.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -918.27 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 47.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 106.92 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.27 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.38 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.185 | Crippen Calculated Property | |
| McVol | 326.050 | ml/mol | McGowan Calculated Property |
| Pc | 1109.63 | kPa | Joback Calculated Property |
| Inp | 2657.00 | NIST | |
| Tboil | 656.43 | K | Relay (1.0) Calculated Property |
| Tc | 849.42 | K | Relay (1.0) Calculated Property |
| Tfus | 298.95 | K | Relay (1.0) Calculated Property |
| Vc | 1.208 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1058.99; 1140.75] | J/mol×K | [909.00; 1116.60] | 
|
| Cp,gas | 1058.99 | J/mol×K | 909.00 | Joback Calculated Property |
| Cp,gas | 1075.84 | J/mol×K | 943.60 | Joback Calculated Property |
| Cp,gas | 1091.36 | J/mol×K | 978.20 | Joback Calculated Property |
| Cp,gas | 1105.58 | J/mol×K | 1012.80 | Joback Calculated Property |
| Cp,gas | 1118.53 | J/mol×K | 1047.40 | Joback Calculated Property |
| Cp,gas | 1130.24 | J/mol×K | 1082.00 | Joback Calculated Property |
| Cp,gas | 1140.75 | J/mol×K | 1116.60 | Joback Calculated Property |
| η | [0.0000298; 0.0005486] | Pa×s | [502.23; 909.00] |
|
| η | 0.0005486 | Pa×s | 502.23 | Joback Calculated Property |
| η | 0.0002529 | Pa×s | 570.02 | Joback Calculated Property |
| η | 0.0001374 | Pa×s | 637.82 | Joback Calculated Property |
| η | 0.0000840 | Pa×s | 705.61 | Joback Calculated Property |
| η | 0.0000559 | Pa×s | 773.41 | Joback Calculated Property |
| η | 0.0000398 | Pa×s | 841.20 | Joback Calculated Property |
| η | 0.0000298 | Pa×s | 909.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Terephthalic acid, 2-methylpent-3-yl nonyl ester.
Sources
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