- InChI
- InChI=1S/C23H30O4/c1-2-3-7-26-21(24)19-5-4-6-20(11-19)22(25)27-15-23-12-16-8-17(13-23)10-18(9-16)14-23/h4-6,11,16-18H,2-3,7-10,12-15H2,1H3
- InChI Key
- YZWBHQYNVHQMAR-UHFFFAOYSA-N
- Formula
- C23H30O4
- SMILES
-
CCCCOC(=O)c1cccc(C(=O)OCC23CC4
CC(CC(C4)C2)C3)c1 - Molecular Weight1
- 370.48
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.8845 | Relay (1.0) Calculated Property | |
| ΔfG° | -65.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -835.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.02 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.54 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.017 | Crippen Calculated Property | |
| McVol | 293.470 | ml/mol | McGowan Calculated Property |
| Pc | 1489.58 | kPa | Joback Calculated Property |
| Inp | 3036.00 | NIST | |
| Tboil | 703.38 | K | Relay (1.0) Calculated Property |
| Tc | 966.75 | K | Relay (1.0) Calculated Property |
| Tfus | 409.52 | K | Relay (1.0) Calculated Property |
| Vc | 1.097 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1015.66; 1144.45] | J/mol×K | [929.94; 1159.29] | 
|
| Cp,gas | 1015.66 | J/mol×K | 929.94 | Joback Calculated Property |
| Cp,gas | 1036.87 | J/mol×K | 968.16 | Joback Calculated Property |
| Cp,gas | 1057.88 | J/mol×K | 1006.39 | Joback Calculated Property |
| Cp,gas | 1078.92 | J/mol×K | 1044.61 | Joback Calculated Property |
| Cp,gas | 1100.21 | J/mol×K | 1082.84 | Joback Calculated Property |
| Cp,gas | 1121.98 | J/mol×K | 1121.06 | Joback Calculated Property |
| Cp,gas | 1144.45 | J/mol×K | 1159.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 1-adamantylmethyl butyl ester.
Sources
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