- InChI
- InChI=1S/C23H28O4/c1-4-5-6-7-8-14-26-22(24)19-10-9-11-20(16-19)23(25)27-21-13-12-17(2)18(3)15-21/h9-13,15-16H,4-8,14H2,1-3H3
- InChI Key
- HXLPEQCAIISEBN-UHFFFAOYSA-N
- Formula
- C23H28O4
- SMILES
-
CCCCCCCOC(=O)c1cccc(C(=O)Oc2cc
c(C)c(C)c2)c1 - Molecular Weight1
- 368.47
- 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° | -129.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -569.00 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 47.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.64 | kJ/mol | Joback Calculated Property |
| log10WS | -7.26 | Crippen Calculated Property | |
| logPoct/wat | 5.650 | Crippen Calculated Property | |
| McVol | 302.290 | ml/mol | McGowan Calculated Property |
| Pc | 1354.63 | kPa | Joback Calculated Property |
| Inp | [3007.00; 3007.00] |
|
|
| Inp | 3007.00 | NIST | |
| Inp | 3007.00 | NIST | |
| Tboil | 946.52 | K | Joback Calculated Property |
| Tc | 1169.97 | K | Joback Calculated Property |
| Tfus | 583.69 | K | Joback Calculated Property |
| Vc | 1.155 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [954.90; 1019.64] | J/mol×K | [946.52; 1169.97] |
|
| Cp,gas | 954.90 | J/mol×K | 946.52 | Joback Calculated Property |
| Cp,gas | 969.05 | J/mol×K | 983.76 | Joback Calculated Property |
| Cp,gas | 981.81 | J/mol×K | 1021.00 | Joback Calculated Property |
| Cp,gas | 993.22 | J/mol×K | 1058.25 | Joback Calculated Property |
| Cp,gas | 1003.30 | J/mol×K | 1095.49 | Joback Calculated Property |
| Cp,gas | 1012.10 | J/mol×K | 1132.73 | Joback Calculated Property |
| Cp,gas | 1019.64 | J/mol×K | 1169.97 | Joback Calculated Property |
| η | [0.0000384; 0.0002992] | Pa×s | [583.69; 946.52] |
|
| η | 0.0002992 | Pa×s | 583.69 | Joback Calculated Property |
| η | 0.0001810 | Pa×s | 644.16 | Joback Calculated Property |
| η | 0.0001193 | Pa×s | 704.63 | Joback Calculated Property |
| η | 0.0000840 | Pa×s | 765.11 | Joback Calculated Property |
| η | 0.0000623 | Pa×s | 825.58 | Joback Calculated Property |
| η | 0.0000481 | Pa×s | 886.05 | Joback Calculated Property |
| η | 0.0000384 | Pa×s | 946.52 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 3,4-dimethylphenyl heptyl ester.
Sources
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