- InChI
- InChI=1S/C21H30O4/c1-3-5-7-8-9-10-11-17-25-21(23)19-14-12-18(13-15-19)20(22)24-16-6-4-2/h4,12-15H,2-3,5-11,16-17H2,1H3
- InChI Key
- AAVYEJSXUZFIJN-UHFFFAOYSA-N
- Formula
- C21H30O4
- SMILES
-
C=CCCOC(=O)c1ccc(C(=O)OCCCCCCC
CC)cc1 - Molecular Weight1
- 346.46
- 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 | 1.0109 | Relay (1.0) Calculated Property | |
| ΔfG° | -304.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -754.80 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 51.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.82 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.34 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.02 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.327 | Crippen Calculated Property | |
| McVol | 293.570 | ml/mol | McGowan Calculated Property |
| Pc | 1217.44 | kPa | Joback Calculated Property |
| Inp | [2649.00; 2649.00] |
|
|
| Inp | 2649.00 | NIST | |
| Inp | 2649.00 | NIST | |
| Tboil | 668.55 | K | Relay (1.0) Calculated Property |
| Tc | 849.95 | K | Relay (1.0) Calculated Property |
| Tfus | 278.43 | K | Relay (1.0) Calculated Property |
| Vc | 1.085 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [896.13; 975.74] | J/mol×K | [824.86; 1021.78] |
|
| Cp,gas | 896.13 | J/mol×K | 824.86 | Joback Calculated Property |
| Cp,gas | 912.25 | J/mol×K | 857.68 | Joback Calculated Property |
| Cp,gas | 927.20 | J/mol×K | 890.50 | Joback Calculated Property |
| Cp,gas | 940.99 | J/mol×K | 923.32 | Joback Calculated Property |
| Cp,gas | 953.65 | J/mol×K | 956.14 | Joback Calculated Property |
| Cp,gas | 965.23 | J/mol×K | 988.96 | Joback Calculated Property |
| Cp,gas | 975.74 | J/mol×K | 1021.78 | Joback Calculated Property |
| η | [0.0000394; 0.0008227] | Pa×s | [448.27; 824.86] |
|
| η | 0.0008227 | Pa×s | 448.27 | Joback Calculated Property |
| η | 0.0003632 | Pa×s | 511.04 | Joback Calculated Property |
| η | 0.0001917 | Pa×s | 573.80 | Joback Calculated Property |
| η | 0.0001148 | Pa×s | 636.56 | Joback Calculated Property |
| η | 0.0000754 | Pa×s | 699.33 | Joback Calculated Property |
| η | 0.0000530 | Pa×s | 762.09 | Joback Calculated Property |
| η | 0.0000394 | Pa×s | 824.86 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Terephthalic acid, but-3-enyl nonyl ester.
Sources
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