- InChI
- InChI=1S/C27H44O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-20-30-25(28)23-18-17-19-24(21-23)26(29)31-22-27(2,3)4/h17-19,21H,5-16,20,22H2,1-4H3
- InChI Key
- OHJVCUNAJOREOY-UHFFFAOYSA-N
- Formula
- C27H44O4
- SMILES
-
CCCCCCCCCCCCCCOC(=O)c1cccc(C(=
O)OCC(C)(C)C)c1 - Molecular Weight1
- 432.64
- 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° | -185.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -873.90 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 57.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.65 | kJ/mol | Joback Calculated Property |
| log10WS | -8.83 | Crippen Calculated Property | |
| logPoct/wat | 7.747 | Crippen Calculated Property | |
| McVol | 382.410 | ml/mol | McGowan Calculated Property |
| Pc | 873.77 | kPa | Joback Calculated Property |
| Inp | [3149.00; 3149.00] |
|
|
| Inp | 3149.00 | NIST | |
| Inp | 3149.00 | NIST | |
| Tboil | 998.17 | K | Joback Calculated Property |
| Tc | 1222.43 | K | Joback Calculated Property |
| Tfus | 579.73 | K | Joback Calculated Property |
| Vc | 1.476 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1306.32; 1392.70] | J/mol×K | [998.17; 1222.43] |
|
| Cp,gas | 1306.32 | J/mol×K | 998.17 | Joback Calculated Property |
| Cp,gas | 1324.15 | J/mol×K | 1035.55 | Joback Calculated Property |
| Cp,gas | 1340.50 | J/mol×K | 1072.92 | Joback Calculated Property |
| Cp,gas | 1355.45 | J/mol×K | 1110.30 | Joback Calculated Property |
| Cp,gas | 1369.08 | J/mol×K | 1147.68 | Joback Calculated Property |
| Cp,gas | 1381.47 | J/mol×K | 1185.06 | Joback Calculated Property |
| Cp,gas | 1392.70 | J/mol×K | 1222.43 | Joback Calculated Property |
| η | [0.0000148; 0.0002323] | Pa×s | [579.73; 998.17] |
|
| η | 0.0002323 | Pa×s | 579.73 | Joback Calculated Property |
| η | 0.0001146 | Pa×s | 649.47 | Joback Calculated Property |
| η | 0.0000649 | Pa×s | 719.21 | Joback Calculated Property |
| η | 0.0000406 | Pa×s | 788.95 | Joback Calculated Property |
| η | 0.0000274 | Pa×s | 858.69 | Joback Calculated Property |
| η | 0.0000197 | Pa×s | 928.43 | Joback Calculated Property |
| η | 0.0000148 | Pa×s | 998.17 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, neopentyl tetradecyl ester.
Sources
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