- InChI
- InChI=1S/C23H30O4/c1-15(2)13-26-21(24)19-4-3-5-20(9-19)22(25)27-14-23-10-16-6-17(11-23)8-18(7-16)12-23/h3-5,9,15-18H,6-8,10-14H2,1-2H3
- InChI Key
- UTFVDGIJHSHNQO-UHFFFAOYSA-N
- Formula
- C23H30O4
- SMILES
-
CC(C)COC(=O)c1cccc(C(=O)OCC23C
C4CC(CC(C4)C2)C3)c1 - Molecular Weight1
- 370.48
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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° | -67.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -580.73 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.10 | kJ/mol | Joback Calculated Property |
| log10WS | -5.87 | Crippen Calculated Property | |
| logPoct/wat | 4.873 | Crippen Calculated Property | |
| McVol | 293.470 | ml/mol | McGowan Calculated Property |
| Pc | 1498.83 | kPa | Joback Calculated Property |
| Inp | [2982.00; 2982.00] |
|
|
| Inp | 2982.00 | NIST | |
| Inp | 2982.00 | NIST | |
| Tboil | 929.50 | K | Joback Calculated Property |
| Tc | 1161.37 | K | Joback Calculated Property |
| Tfus | 587.19 | K | Joback Calculated Property |
| Vc | 1.117 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1016.06; 1145.80] | J/mol×K | [929.50; 1161.37] |
|
| Cp,gas | 1016.06 | J/mol×K | 929.50 | Joback Calculated Property |
| Cp,gas | 1037.45 | J/mol×K | 968.15 | Joback Calculated Property |
| Cp,gas | 1058.63 | J/mol×K | 1006.79 | Joback Calculated Property |
| Cp,gas | 1079.81 | J/mol×K | 1045.44 | Joback Calculated Property |
| Cp,gas | 1101.25 | J/mol×K | 1084.08 | Joback Calculated Property |
| Cp,gas | 1123.17 | J/mol×K | 1122.73 | Joback Calculated Property |
| Cp,gas | 1145.80 | J/mol×K | 1161.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 1-adamantylmethyl isobutyl ester.
Sources
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