- InChI
- InChI=1S/C22H32O4/c1-3-5-7-8-9-10-11-12-18-26-22(24)20-15-13-19(14-16-20)21(23)25-17-6-4-2/h4,13-16H,2-3,5-12,17-18H2,1H3
- InChI Key
- RXYZCQFRFQXQSR-UHFFFAOYSA-N
- Formula
- C22H32O4
- SMILES
-
C=CCCOC(=O)c1ccc(C(=O)OCCCCCCC
CCC)cc1 - Molecular Weight1
- 360.49
- 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 | 1.0482 | Relay (1.0) Calculated Property | |
| ΔfG° | -295.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -776.73 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 53.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.83 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.37 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.31 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.717 | Crippen Calculated Property | |
| McVol | 307.660 | ml/mol | McGowan Calculated Property |
| Pc | 1139.80 | kPa | Joback Calculated Property |
| Inp | [2755.00; 2755.00] |
|
|
| Inp | 2755.00 | NIST | |
| Inp | 2755.00 | NIST | |
| Tboil | 675.56 | K | Relay (1.0) Calculated Property |
| Tc | 857.37 | K | Relay (1.0) Calculated Property |
| Tfus | 281.06 | K | Relay (1.0) Calculated Property |
| Vc | 1.139 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [955.28; 1035.33] | J/mol×K | [847.74; 1045.80] |
|
| Cp,gas | 955.28 | J/mol×K | 847.74 | Joback Calculated Property |
| Cp,gas | 971.57 | J/mol×K | 880.75 | Joback Calculated Property |
| Cp,gas | 986.65 | J/mol×K | 913.76 | Joback Calculated Property |
| Cp,gas | 1000.52 | J/mol×K | 946.77 | Joback Calculated Property |
| Cp,gas | 1013.24 | J/mol×K | 979.78 | Joback Calculated Property |
| Cp,gas | 1024.83 | J/mol×K | 1012.79 | Joback Calculated Property |
| Cp,gas | 1035.33 | J/mol×K | 1045.80 | Joback Calculated Property |
| η | [0.0000340; 0.0007313] | Pa×s | [459.54; 847.74] |
|
| η | 0.0007313 | Pa×s | 459.54 | Joback Calculated Property |
| η | 0.0003199 | Pa×s | 524.24 | Joback Calculated Property |
| η | 0.0001678 | Pa×s | 588.94 | Joback Calculated Property |
| η | 0.0001000 | Pa×s | 653.64 | Joback Calculated Property |
| η | 0.0000655 | Pa×s | 718.34 | Joback Calculated Property |
| η | 0.0000459 | Pa×s | 783.04 | Joback Calculated Property |
| η | 0.0000340 | Pa×s | 847.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Terephthalic acid, but-3-enyl decyl ester.
Sources
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