- InChI
- InChI=1S/C19H26O4/c1-3-5-7-8-9-15-23-19(21)17-12-10-16(11-13-17)18(20)22-14-6-4-2/h4,10-13H,2-3,5-9,14-15H2,1H3
- InChI Key
- PFVSIAQAWKCZJK-UHFFFAOYSA-N
- Formula
- C19H26O4
- SMILES
-
C=CCCOC(=O)c1ccc(C(=O)OCCCCCCC
)cc1 - Molecular Weight1
- 318.41
- 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 | 0.9333 | Relay (1.0) Calculated Property | |
| ΔfG° | -321.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -711.39 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.33 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.32 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.43 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.547 | Crippen Calculated Property | |
| McVol | 265.390 | ml/mol | McGowan Calculated Property |
| Pc | 1398.55 | kPa | Joback Calculated Property |
| Inp | [2435.00; 2435.00] |
|
|
| Inp | 2435.00 | NIST | |
| Inp | 2435.00 | NIST | |
| Tboil | 654.11 | K | Relay (1.0) Calculated Property |
| Tc | 834.45 | K | Relay (1.0) Calculated Property |
| Tfus | 273.75 | K | Relay (1.0) Calculated Property |
| Vc | 0.976 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [376.70; 865.70] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 1.38380e+01 | |||
| Coefficient B | 1.54082e+00 | |||
| Coefficient C | -8.07660e-04 | |||
| Coefficient D | 1.18700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 376.70 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 463.12 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 540.63 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 609.63 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 670.48 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 723.56 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 769.25 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 807.92 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 839.94 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 865.70 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0010289; 0.0000867] | Pa×s | [425.73; 683.02] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.34467e+01 | |||
| Coefficient B | 2.79592e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 425.73 | |||
| Temperature range, max. | 683.02 | |||
| η | 0.0010289 | Pa×s | 425.73 | Calculated Property |
| η | 0.0006806 | Pa×s | 454.32 | Calculated Property |
| η | 0.0004728 | Pa×s | 482.90 | Calculated Property |
| η | 0.0003421 | Pa×s | 511.49 | Calculated Property |
| η | 0.0002561 | Pa×s | 540.08 | Calculated Property |
| η | 0.0001974 | Pa×s | 568.67 | Calculated Property |
| η | 0.0001560 | Pa×s | 597.25 | Calculated Property |
| η | 0.0001260 | Pa×s | 625.84 | Calculated Property |
| η | 0.0001037 | Pa×s | 654.43 | Calculated Property |
| η | 0.0000867 | Pa×s | 683.02 | Calculated Property |
Similar Compounds
Find more compounds similar to Terephthalic acid, but-3-enyl heptyl ester.
Sources
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