- InChI
- InChI=1S/C17H22O4/c1-2-20-16(18)14-9-6-10-15(11-14)17(19)21-12-13-7-4-3-5-8-13/h6,9-11,13H,2-5,7-8,12H2,1H3
- InChI Key
- KBWMCBYGRYSMDX-UHFFFAOYSA-N
- Formula
- C17H22O4
- SMILES
-
CCOC(=O)c1cccc(C(=O)OCC2CCCCC2
)c1 - Molecular Weight1
- 290.35
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -248.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -604.43 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.12 | kJ/mol | Joback Calculated Property |
| log10WS | -4.54 | Crippen Calculated Property | |
| logPoct/wat | 3.600 | Crippen Calculated Property | |
| McVol | 230.650 | ml/mol | McGowan Calculated Property |
| Pc | 1998.33 | kPa | Joback Calculated Property |
| Inp | [2326.00; 2326.00] |
|
|
| Inp | 2326.00 | NIST | |
| Inp | 2326.00 | NIST | |
| Tboil | 792.15 | K | Joback Calculated Property |
| Tc | 1018.40 | K | Joback Calculated Property |
| Tfus | 471.99 | K | Joback Calculated Property |
| Vc | 0.861 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [698.54; 779.69] | J/mol×K | [792.15; 1018.40] |
|
| Cp,gas | 698.54 | J/mol×K | 792.15 | Joback Calculated Property |
| Cp,gas | 715.57 | J/mol×K | 829.86 | Joback Calculated Property |
| Cp,gas | 731.16 | J/mol×K | 867.57 | Joback Calculated Property |
| Cp,gas | 745.34 | J/mol×K | 905.27 | Joback Calculated Property |
| Cp,gas | 758.14 | J/mol×K | 942.98 | Joback Calculated Property |
| Cp,gas | 769.58 | J/mol×K | 980.69 | Joback Calculated Property |
| Cp,gas | 779.69 | J/mol×K | 1018.40 | Joback Calculated Property |
| η | [0.0000856; 0.0009049] | Pa×s | [471.99; 792.15] |
|
| η | 0.0009049 | Pa×s | 471.99 | Joback Calculated Property |
| η | 0.0005003 | Pa×s | 525.35 | Joback Calculated Property |
| η | 0.0003085 | Pa×s | 578.71 | Joback Calculated Property |
| η | 0.0002064 | Pa×s | 632.07 | Joback Calculated Property |
| η | 0.0001470 | Pa×s | 685.43 | Joback Calculated Property |
| η | 0.0001100 | Pa×s | 738.79 | Joback Calculated Property |
| η | 0.0000856 | Pa×s | 792.15 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, cyclohexylmethyl ethyl ester.
Sources
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