- InChI
- InChI=1S/C26H34O4/c1-2-3-4-5-6-7-11-19-29-25(27)23-17-12-18-24(21-23)26(28)30-20-13-16-22-14-9-8-10-15-22/h8-10,12,14-15,17-18,21H,2-7,11,13,16,19-20H2,1H3
- InChI Key
- YXZZKKPQVNFBEC-UHFFFAOYSA-N
- Formula
- C26H34O4
- SMILES
-
CCCCCCCCCOC(=O)c1cccc(C(=O)OCC
Cc2ccccc2)c1 - Molecular Weight1
- 410.55
- 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 | 1.1389 | Relay (1.0) Calculated Property | |
| ΔfG° | -237.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -726.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 59.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 123.44 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.87 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.22 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.384 | Crippen Calculated Property | |
| McVol | 344.560 | ml/mol | McGowan Calculated Property |
| Pc | 1070.06 | kPa | Joback Calculated Property |
| Inp | [3322.00; 3322.00] |
|
|
| Inp | 3322.00 | NIST | |
| Inp | 3322.00 | NIST | |
| Tboil | 711.75 | K | Relay (1.0) Calculated Property |
| Tc | 938.19 | K | Relay (1.0) Calculated Property |
| Tfus | 297.48 | K | Relay (1.0) Calculated Property |
| Vc | 1.291 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [477.75; 1136.82] | 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 | -2.34390e+01 | |||
| Coefficient B | 2.14692e+00 | |||
| Coefficient C | -1.19676e-03 | |||
| Coefficient D | 2.10100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 477.75 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 595.61 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 700.76 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 793.87 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 875.60 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 946.62 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1007.58 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1059.16 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1102.02 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1136.82 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0003574; 0.0000323] | Pa×s | [532.80; 832.96] |
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 | -1.46065e+01 | |||
| Coefficient B | 3.55362e+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. | 532.80 | |||
| Temperature range, max. | 832.96 | |||
| η | 0.0003574 | Pa×s | 532.80 | Calculated Property |
| η | 0.0002412 | Pa×s | 566.15 | Calculated Property |
| η | 0.0001701 | Pa×s | 599.50 | Calculated Property |
| η | 0.0001245 | Pa×s | 632.85 | Calculated Property |
| η | 0.0000940 | Pa×s | 666.21 | Calculated Property |
| η | 0.0000729 | Pa×s | 699.56 | Calculated Property |
| η | 0.0000578 | Pa×s | 732.91 | Calculated Property |
| η | 0.0000468 | Pa×s | 766.26 | Calculated Property |
| η | 0.0000386 | Pa×s | 799.61 | Calculated Property |
| η | 0.0000323 | Pa×s | 832.96 | Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, nonyl 3-phenylpropyl ester.
Sources
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