- InChI
- InChI=1S/C28H38O4/c1-2-3-4-5-6-7-8-9-10-14-21-31-27(29)25-18-15-19-26(23-25)28(30)32-22-20-24-16-12-11-13-17-24/h11-13,15-19,23H,2-10,14,20-22H2,1H3
- InChI Key
- ALYNKZJDNNWBSM-UHFFFAOYSA-N
- Formula
- C28H38O4
- SMILES
-
CCCCCCCCCCCCOC(=O)c1cccc(C(=O)
OCCc2ccccc2)c1 - Molecular Weight1
- 438.61
- 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 | 1.2175 | Relay (1.0) Calculated Property | |
| ΔfG° | -220.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -761.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 64.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 131.11 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.87 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.81 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.164 | Crippen Calculated Property | |
| McVol | 372.740 | ml/mol | McGowan Calculated Property |
| Pc | 947.33 | kPa | Joback Calculated Property |
| Inp | [3521.00; 3521.00] |
|
|
| Inp | 3521.00 | NIST | |
| Inp | 3521.00 | NIST | |
| Tboil | 721.69 | K | Relay (1.0) Calculated Property |
| Tc | 952.19 | K | Relay (1.0) Calculated Property |
| Tfus | 290.22 | K | Relay (1.0) Calculated Property |
| Vc | 1.400 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [520.18; 1240.00] | 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 | -2.52570e+01 | |||
| Coefficient B | 2.33692e+00 | |||
| Coefficient C | -1.30556e-03 | |||
| Coefficient D | 2.33900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 520.18 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 648.45 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 762.92 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 864.33 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 953.42 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1030.94 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1097.61 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1154.19 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1201.41 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1240.00 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0002746; 0.0000240] | Pa×s | [555.34; 869.97] |
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 | -1.49384e+01 | |||
| Coefficient B | 3.74194e+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. | 555.34 | |||
| Temperature range, max. | 869.97 | |||
| η | 0.0002746 | Pa×s | 555.34 | Calculated Property |
| η | 0.0001842 | Pa×s | 590.30 | Calculated Property |
| η | 0.0001293 | Pa×s | 625.26 | Calculated Property |
| η | 0.0000941 | Pa×s | 660.22 | Calculated Property |
| η | 0.0000708 | Pa×s | 695.18 | Calculated Property |
| η | 0.0000547 | Pa×s | 730.13 | Calculated Property |
| η | 0.0000433 | Pa×s | 765.09 | Calculated Property |
| η | 0.0000350 | Pa×s | 800.05 | Calculated Property |
| η | 0.0000287 | Pa×s | 835.01 | Calculated Property |
| η | 0.0000240 | Pa×s | 869.97 | Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, dodecyl phenylethyl ester.
Sources
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