- InChI
- InChI=1S/C19H26O4/c1-2-12-22-18(20)16-9-6-10-17(14-16)19(21)23-13-11-15-7-4-3-5-8-15/h6,9-10,14-15H,2-5,7-8,11-13H2,1H3
- InChI Key
- MFKRLDKIUGBUCK-UHFFFAOYSA-N
- Formula
- C19H26O4
- SMILES
-
CCCOC(=O)c1cccc(C(=O)OCCC2CCCC
C2)c1 - 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 | 0.8441 | Relay (1.0) Calculated Property | |
| ΔfG° | -231.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -778.95 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.24 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.13 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.52 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.381 | Crippen Calculated Property | |
| McVol | 258.830 | ml/mol | McGowan Calculated Property |
| Pc | 1694.90 | kPa | Joback Calculated Property |
| Inp | [2533.00; 2533.00] |
|
|
| Inp | 2533.00 | NIST | |
| Inp | 2533.00 | NIST | |
| Tboil | 665.97 | K | Relay (1.0) Calculated Property |
| Tc | 865.81 | K | Relay (1.0) Calculated Property |
| Tfus | 291.63 | K | Relay (1.0) Calculated Property |
| Vc | 0.943 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [814.01; 894.70] | J/mol×K | [837.91; 1058.86] |
|
| Cp,gas | 814.01 | J/mol×K | 837.91 | Joback Calculated Property |
| Cp,gas | 831.02 | J/mol×K | 874.73 | Joback Calculated Property |
| Cp,gas | 846.57 | J/mol×K | 911.56 | Joback Calculated Property |
| Cp,gas | 860.68 | J/mol×K | 948.38 | Joback Calculated Property |
| Cp,gas | 873.39 | J/mol×K | 985.21 | Joback Calculated Property |
| Cp,gas | 884.72 | J/mol×K | 1022.03 | Joback Calculated Property |
| Cp,gas | 894.70 | J/mol×K | 1058.86 | Joback Calculated Property |
| η | [0.0000653; 0.0007476] | Pa×s | [494.53; 837.91] |
|
| η | 0.0007476 | Pa×s | 494.53 | Joback Calculated Property |
| η | 0.0004033 | Pa×s | 551.76 | Joback Calculated Property |
| η | 0.0002443 | Pa×s | 608.99 | Joback Calculated Property |
| η | 0.0001613 | Pa×s | 666.22 | Joback Calculated Property |
| η | 0.0001138 | Pa×s | 723.45 | Joback Calculated Property |
| η | 0.0000844 | Pa×s | 780.68 | Joback Calculated Property |
| η | 0.0000653 | Pa×s | 837.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 2-cyclohexylethyl propyl ester.
Sources
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