- InChI
- InChI=1S/C23H28O4/c1-2-3-4-5-9-16-26-22(24)20-13-10-14-21(18-20)23(25)27-17-15-19-11-7-6-8-12-19/h6-8,10-14,18H,2-5,9,15-17H2,1H3
- InChI Key
- SREBDSZSRALJCI-UHFFFAOYSA-N
- Formula
- C23H28O4
- SMILES
-
CCCCCCCOC(=O)c1cccc(C(=O)OCCc2
ccccc2)c1 - Molecular Weight1
- 368.47
- 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 | 1.0189 | Relay (1.0) Calculated Property | |
| ΔfG° | -262.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -657.16 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 51.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 111.86 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.75 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.34 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.213 | Crippen Calculated Property | |
| McVol | 302.290 | ml/mol | McGowan Calculated Property |
| Pc | 1304.23 | kPa | Joback Calculated Property |
| Inp | [2991.00; 2991.00] |
|
|
| Inp | 2991.00 | NIST | |
| Inp | 2991.00 | NIST | |
| Tboil | 687.80 | K | Relay (1.0) Calculated Property |
| Tc | 919.73 | K | Relay (1.0) Calculated Property |
| Tfus | 283.79 | K | Relay (1.0) Calculated Property |
| Vc | 1.128 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [414.11; 982.05] | 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 | -2.07120e+01 | |||
| Coefficient B | 1.86192e+00 | |||
| Coefficient C | -1.03356e-03 | |||
| Coefficient D | 1.74400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 414.11 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 516.36 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 607.53 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 688.18 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 758.87 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 820.13 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 872.53 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 916.62 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 952.94 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 982.05 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0005198; 0.0000484] | Pa×s | [498.99; 782.25] |
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 | -1.41176e+01 | |||
| Coefficient B | 3.27114e+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. | 498.99 | |||
| Temperature range, max. | 782.25 | |||
| η | 0.0005198 | Pa×s | 498.99 | Calculated Property |
| η | 0.0003523 | Pa×s | 530.46 | Calculated Property |
| η | 0.0002494 | Pa×s | 561.94 | Calculated Property |
| η | 0.0001832 | Pa×s | 593.41 | Calculated Property |
| η | 0.0001388 | Pa×s | 624.88 | Calculated Property |
| η | 0.0001080 | Pa×s | 656.35 | Calculated Property |
| η | 0.0000859 | Pa×s | 687.83 | Calculated Property |
| η | 0.0000698 | Pa×s | 719.30 | Calculated Property |
| η | 0.0000577 | Pa×s | 750.77 | Calculated Property |
| η | 0.0000484 | Pa×s | 782.25 | Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, heptyl phenylethyl ester.
Sources
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