- InChI
- InChI=1S/C25H40O4/c1-5-6-7-8-9-10-11-12-13-14-18-28-23(26)21-16-15-17-22(19-21)24(27)29-20-25(2,3)4/h15-17,19H,5-14,18,20H2,1-4H3
- InChI Key
- XAONYSPQOOPDLP-UHFFFAOYSA-N
- Formula
- C25H40O4
- SMILES
-
CCCCCCCCCCCCOC(=O)c1cccc(C(=O)
OCC(C)(C)C)c1 - Molecular Weight1
- 404.58
- 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° | -202.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -832.62 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 52.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.20 | kJ/mol | Joback Calculated Property |
| log10WS | -7.99 | Crippen Calculated Property | |
| logPoct/wat | 6.967 | Crippen Calculated Property | |
| McVol | 354.230 | ml/mol | McGowan Calculated Property |
| Pc | 982.08 | kPa | Joback Calculated Property |
| Inp | [2932.00; 2932.00] |
|
|
| Inp | 2932.00 | NIST | |
| Inp | 2932.00 | NIST | |
| Tboil | 952.41 | K | Joback Calculated Property |
| Tc | 1166.68 | K | Joback Calculated Property |
| Tfus | 557.19 | K | Joback Calculated Property |
| Vc | 1.365 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1181.34; 1265.98] | J/mol×K | [952.41; 1166.68] |
|
| Cp,gas | 1181.34 | J/mol×K | 952.41 | Joback Calculated Property |
| Cp,gas | 1198.60 | J/mol×K | 988.12 | Joback Calculated Property |
| Cp,gas | 1214.52 | J/mol×K | 1023.83 | Joback Calculated Property |
| Cp,gas | 1229.15 | J/mol×K | 1059.55 | Joback Calculated Property |
| Cp,gas | 1242.56 | J/mol×K | 1095.26 | Joback Calculated Property |
| Cp,gas | 1254.81 | J/mol×K | 1130.97 | Joback Calculated Property |
| Cp,gas | 1265.98 | J/mol×K | 1166.68 | Joback Calculated Property |
| η | [0.0000203; 0.0003009] | Pa×s | [557.19; 952.41] |
|
| η | 0.0003009 | Pa×s | 557.19 | Joback Calculated Property |
| η | 0.0001513 | Pa×s | 623.06 | Joback Calculated Property |
| η | 0.0000868 | Pa×s | 688.93 | Joback Calculated Property |
| η | 0.0000548 | Pa×s | 754.80 | Joback Calculated Property |
| η | 0.0000373 | Pa×s | 820.67 | Joback Calculated Property |
| η | 0.0000269 | Pa×s | 886.54 | Joback Calculated Property |
| η | 0.0000203 | Pa×s | 952.41 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, dodecyl neopentyl ester.
Sources
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