- InChI
- InChI=1S/C18H24O4/c1-4-21-17(19)14-6-5-7-15(11-14)18(20)22-16-9-8-12(2)13(3)10-16/h5-7,11-13,16H,4,8-10H2,1-3H3
- InChI Key
- VOLFDAZXHNGGLK-UHFFFAOYSA-N
- Formula
- C18H24O4
- SMILES
-
CCOC(=O)c1cccc(C(=O)OC2CCC(C)C
(C)C2)c1 - Molecular Weight1
- 304.38
- 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° | -255.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -665.75 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.72 | kJ/mol | Joback Calculated Property |
| log10WS | -4.83 | Crippen Calculated Property | |
| logPoct/wat | 3.845 | Crippen Calculated Property | |
| McVol | 244.740 | ml/mol | McGowan Calculated Property |
| Pc | 1737.56 | kPa | Joback Calculated Property |
| Inp | [2361.00; 2361.00] |
|
|
| Inp | 2361.00 | NIST | |
| Inp | 2361.00 | NIST | |
| Tboil | 805.69 | K | Joback Calculated Property |
| Tc | 1028.90 | K | Joback Calculated Property |
| Tfus | 474.78 | K | Joback Calculated Property |
| Vc | 0.914 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [763.00; 847.72] | J/mol×K | [805.69; 1028.90] |
|
| Cp,gas | 763.00 | J/mol×K | 805.69 | Joback Calculated Property |
| Cp,gas | 780.94 | J/mol×K | 842.89 | Joback Calculated Property |
| Cp,gas | 797.34 | J/mol×K | 880.09 | Joback Calculated Property |
| Cp,gas | 812.21 | J/mol×K | 917.29 | Joback Calculated Property |
| Cp,gas | 825.56 | J/mol×K | 954.50 | Joback Calculated Property |
| Cp,gas | 837.40 | J/mol×K | 991.70 | Joback Calculated Property |
| Cp,gas | 847.72 | J/mol×K | 1028.90 | Joback Calculated Property |
| η | [0.0001214; 0.0009295] | Pa×s | [474.78; 805.69] |
|
| η | 0.0009295 | Pa×s | 474.78 | Joback Calculated Property |
| η | 0.0005549 | Pa×s | 529.93 | Joback Calculated Property |
| η | 0.0003652 | Pa×s | 585.08 | Joback Calculated Property |
| η | 0.0002582 | Pa×s | 640.24 | Joback Calculated Property |
| η | 0.0001930 | Pa×s | 695.39 | Joback Calculated Property |
| η | 0.0001505 | Pa×s | 750.54 | Joback Calculated Property |
| η | 0.0001214 | Pa×s | 805.69 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 3,4-dimethylcyclohexyl ethyl ester.
Sources
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