- InChI
- InChI=1S/C25H32O5/c1-4-5-6-7-8-11-17-28-24(26)20-13-12-14-21(18-20)25(27)30-23-16-10-9-15-22(23)29-19(2)3/h9-10,12-16,18-19H,4-8,11,17H2,1-3H3
- InChI Key
- UDBOJJAWJINVCQ-UHFFFAOYSA-N
- Formula
- C25H32O5
- SMILES
-
CCCCCCCCOC(=O)c1cccc(C(=O)Oc2c
cccc2OC(C)C)c1 - Molecular Weight1
- 412.52
- 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° | -210.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -736.31 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 51.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.45 | kJ/mol | Joback Calculated Property |
| log10WS | -7.80 | Crippen Calculated Property | |
| logPoct/wat | 6.210 | Crippen Calculated Property | |
| McVol | 336.340 | ml/mol | McGowan Calculated Property |
| Pc | 1186.60 | kPa | Joback Calculated Property |
| Inp | [3112.00; 3112.00] |
|
|
| Inp | 3112.00 | NIST | |
| Inp | 3112.00 | NIST | |
| Tboil | 1009.28 | K | Joback Calculated Property |
| Tc | 1238.35 | K | Joback Calculated Property |
| Tfus | 600.94 | K | Joback Calculated Property |
| Vc | 1.280 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1103.54; 1159.18] | J/mol×K | [1009.28; 1238.35] |
|
| Cp,gas | 1103.54 | J/mol×K | 1009.28 | Joback Calculated Property |
| Cp,gas | 1116.84 | J/mol×K | 1047.46 | Joback Calculated Property |
| Cp,gas | 1128.48 | J/mol×K | 1085.64 | Joback Calculated Property |
| Cp,gas | 1138.50 | J/mol×K | 1123.82 | Joback Calculated Property |
| Cp,gas | 1146.94 | J/mol×K | 1162.00 | Joback Calculated Property |
| Cp,gas | 1153.82 | J/mol×K | 1200.18 | Joback Calculated Property |
| Cp,gas | 1159.18 | J/mol×K | 1238.35 | Joback Calculated Property |
| η | [0.0000189; 0.0002030] | Pa×s | [600.94; 1009.28] |
|
| η | 0.0002030 | Pa×s | 600.94 | Joback Calculated Property |
| η | 0.0001117 | Pa×s | 669.00 | Joback Calculated Property |
| η | 0.0000687 | Pa×s | 737.05 | Joback Calculated Property |
| η | 0.0000459 | Pa×s | 805.11 | Joback Calculated Property |
| η | 0.0000326 | Pa×s | 873.17 | Joback Calculated Property |
| η | 0.0000243 | Pa×s | 941.22 | Joback Calculated Property |
| η | 0.0000189 | Pa×s | 1009.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 2-isopropoxyphenyl octyl ester.
Sources
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