- InChI
- InChI=1S/C20H24O4/c1-2-23-19(21)14-4-3-5-15(11-14)20(22)24-18-16-7-12-6-13(9-16)10-17(18)8-12/h3-5,11-13,16-18H,2,6-10H2,1H3
- InChI Key
- HUFUHGMFQUODQN-UHFFFAOYSA-N
- Formula
- C20H24O4
- SMILES
-
CCOC(=O)c1cccc(C(=O)OC2C3CC4CC
(C3)CC2C4)c1 - Molecular Weight1
- 328.40
- 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° | -92.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -549.11 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.66 | kJ/mol | Joback Calculated Property |
| log10WS | -4.97 | Crippen Calculated Property | |
| logPoct/wat | 3.845 | Crippen Calculated Property | |
| McVol | 251.200 | ml/mol | McGowan Calculated Property |
| Pc | 1763.93 | kPa | Joback Calculated Property |
| Inp | 2719.00 | NIST | |
| Tboil | 856.39 | K | Joback Calculated Property |
| Tc | 1085.76 | K | Joback Calculated Property |
| Tfus | 540.24 | K | Joback Calculated Property |
| Vc | 0.957 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [838.99; 927.71] | J/mol×K | [856.39; 1085.76] | 
|
| Cp,gas | 838.99 | J/mol×K | 856.39 | Joback Calculated Property |
| Cp,gas | 856.62 | J/mol×K | 894.62 | Joback Calculated Property |
| Cp,gas | 872.98 | J/mol×K | 932.85 | Joback Calculated Property |
| Cp,gas | 888.16 | J/mol×K | 971.07 | Joback Calculated Property |
| Cp,gas | 902.27 | J/mol×K | 1009.30 | Joback Calculated Property |
| Cp,gas | 915.42 | J/mol×K | 1047.53 | Joback Calculated Property |
| Cp,gas | 927.71 | J/mol×K | 1085.76 | Joback Calculated Property |
| η | [0.0019260; 0.0040364] | Pa×s | [540.24; 856.39] |
|
| η | 0.0040364 | Pa×s | 540.24 | Joback Calculated Property |
| η | 0.0033779 | Pa×s | 592.93 | Joback Calculated Property |
| η | 0.0029101 | Pa×s | 645.62 | Joback Calculated Property |
| η | 0.0025642 | Pa×s | 698.32 | Joback Calculated Property |
| η | 0.0022999 | Pa×s | 751.01 | Joback Calculated Property |
| η | 0.0020924 | Pa×s | 803.70 | Joback Calculated Property |
| η | 0.0019260 | Pa×s | 856.39 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 2-adamantyl ethyl ester.
Sources
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