- InChI
- InChI=1S/C21H30O4/c1-2-3-4-8-14-24-20(22)18-12-9-13-19(15-18)21(23)25-16-17-10-6-5-7-11-17/h9,12-13,15,17H,2-8,10-11,14,16H2,1H3
- InChI Key
- FOSHKIVRCKVXKF-UHFFFAOYSA-N
- Formula
- C21H30O4
- SMILES
-
CCCCCCOC(=O)c1cccc(C(=O)OCC2CC
CCC2)c1 - Molecular Weight1
- 346.46
- 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° | -214.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -686.99 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.02 | kJ/mol | Joback Calculated Property |
| log10WS | -6.21 | Crippen Calculated Property | |
| logPoct/wat | 5.161 | Crippen Calculated Property | |
| McVol | 287.010 | ml/mol | McGowan Calculated Property |
| Pc | 1455.68 | kPa | Joback Calculated Property |
| Inp | [2754.00; 2754.00] |
|
|
| Inp | 2754.00 | NIST | |
| Inp | 2754.00 | NIST | |
| Tboil | 883.67 | K | Joback Calculated Property |
| Tc | 1101.87 | K | Joback Calculated Property |
| Tfus | 517.07 | K | Joback Calculated Property |
| Vc | 1.085 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [932.47; 1011.97] | J/mol×K | [883.67; 1101.87] |
|
| Cp,gas | 932.47 | J/mol×K | 883.67 | Joback Calculated Property |
| Cp,gas | 949.38 | J/mol×K | 920.04 | Joback Calculated Property |
| Cp,gas | 964.77 | J/mol×K | 956.40 | Joback Calculated Property |
| Cp,gas | 978.69 | J/mol×K | 992.77 | Joback Calculated Property |
| Cp,gas | 991.18 | J/mol×K | 1029.14 | Joback Calculated Property |
| Cp,gas | 1002.26 | J/mol×K | 1065.51 | Joback Calculated Property |
| Cp,gas | 1011.97 | J/mol×K | 1101.87 | Joback Calculated Property |
| η | [0.0000492; 0.0006068] | Pa×s | [517.07; 883.67] |
|
| η | 0.0006068 | Pa×s | 517.07 | Joback Calculated Property |
| η | 0.0003200 | Pa×s | 578.17 | Joback Calculated Property |
| η | 0.0001907 | Pa×s | 639.27 | Joback Calculated Property |
| η | 0.0001244 | Pa×s | 700.37 | Joback Calculated Property |
| η | 0.0000869 | Pa×s | 761.47 | Joback Calculated Property |
| η | 0.0000640 | Pa×s | 822.57 | Joback Calculated Property |
| η | 0.0000492 | Pa×s | 883.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, cyclohexylmethyl hexyl ester.
Sources
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