- InChI
- InChI=1S/C28H38O5/c1-4-5-6-7-8-9-10-11-14-20-31-27(29)23-16-15-17-24(21-23)28(30)33-26-19-13-12-18-25(26)32-22(2)3/h12-13,15-19,21-22H,4-11,14,20H2,1-3H3
- InChI Key
- SDHHJYWIJBYNME-UHFFFAOYSA-N
- Formula
- C28H38O5
- SMILES
-
CCCCCCCCCCCOC(=O)c1cccc(C(=O)O
c2ccccc2OC(C)C)c1 - Molecular Weight1
- 454.60
- 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° | -184.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -798.23 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 58.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.13 | kJ/mol | Joback Calculated Property |
| log10WS | -9.06 | Crippen Calculated Property | |
| logPoct/wat | 7.381 | Crippen Calculated Property | |
| McVol | 378.610 | ml/mol | McGowan Calculated Property |
| Pc | 982.08 | kPa | Joback Calculated Property |
| Inp | [3421.00; 3421.00] |
|
|
| Inp | 3421.00 | NIST | |
| Inp | 3421.00 | NIST | |
| Tboil | 1077.92 | K | Joback Calculated Property |
| Tc | 1320.01 | K | Joback Calculated Property |
| Tfus | 634.75 | K | Joback Calculated Property |
| Vc | 1.448 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1285.83; 1336.93] | J/mol×K | [1077.92; 1320.01] |
|
| Cp,gas | 1285.83 | J/mol×K | 1077.92 | Joback Calculated Property |
| Cp,gas | 1298.97 | J/mol×K | 1118.27 | Joback Calculated Property |
| Cp,gas | 1310.18 | J/mol×K | 1158.62 | Joback Calculated Property |
| Cp,gas | 1319.53 | J/mol×K | 1198.97 | Joback Calculated Property |
| Cp,gas | 1327.06 | J/mol×K | 1239.31 | Joback Calculated Property |
| Cp,gas | 1332.85 | J/mol×K | 1279.66 | Joback Calculated Property |
| Cp,gas | 1336.93 | J/mol×K | 1320.01 | Joback Calculated Property |
| η | [0.0000119; 0.0001406] | Pa×s | [634.75; 1077.92] |
|
| η | 0.0001406 | Pa×s | 634.75 | Joback Calculated Property |
| η | 0.0000752 | Pa×s | 708.61 | Joback Calculated Property |
| η | 0.0000453 | Pa×s | 782.47 | Joback Calculated Property |
| η | 0.0000298 | Pa×s | 856.34 | Joback Calculated Property |
| η | 0.0000209 | Pa×s | 930.20 | Joback Calculated Property |
| η | 0.0000155 | Pa×s | 1004.06 | Joback Calculated Property |
| η | 0.0000119 | Pa×s | 1077.92 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 2-isopropoxyphenyl undecyl ester.
Sources
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