- InChI
- InChI=1S/C28H46O4/c1-4-6-8-9-10-11-12-13-14-15-17-22-31-27(29)25-20-18-21-26(23-25)28(30)32-24(3)19-16-7-5-2/h18,20-21,23-24H,4-17,19,22H2,1-3H3
- InChI Key
- BABYNFVXSKVDDR-UHFFFAOYSA-N
- Formula
- C28H46O4
- SMILES
-
CCCCCCCCCCCCCOC(=O)c1cccc(C(=O
)OC(C)CCCCC)c1 - Molecular Weight1
- 446.66
- 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° | -182.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -891.07 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 63.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.78 | kJ/mol | Joback Calculated Property |
| log10WS | -9.60 | Crippen Calculated Property | |
| logPoct/wat | 8.280 | Crippen Calculated Property | |
| McVol | 396.500 | ml/mol | McGowan Calculated Property |
| Pc | 821.01 | kPa | Joback Calculated Property |
| Inp | 3139.00 | NIST | |
| Tboil | 1023.84 | K | Joback Calculated Property |
| Tc | 1257.25 | K | Joback Calculated Property |
| Tfus | 573.58 | K | Joback Calculated Property |
| Vc | 1.538 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1369.87; 1453.02] | J/mol×K | [1023.84; 1257.25] | 
|
| Cp,gas | 1369.87 | J/mol×K | 1023.84 | Joback Calculated Property |
| Cp,gas | 1387.95 | J/mol×K | 1062.74 | Joback Calculated Property |
| Cp,gas | 1404.24 | J/mol×K | 1101.64 | Joback Calculated Property |
| Cp,gas | 1418.83 | J/mol×K | 1140.55 | Joback Calculated Property |
| Cp,gas | 1431.78 | J/mol×K | 1179.45 | Joback Calculated Property |
| Cp,gas | 1443.15 | J/mol×K | 1218.35 | Joback Calculated Property |
| Cp,gas | 1453.02 | J/mol×K | 1257.25 | Joback Calculated Property |
| η | [0.0000152; 0.0002604] | Pa×s | [573.58; 1023.84] |
|
| η | 0.0002604 | Pa×s | 573.58 | Joback Calculated Property |
| η | 0.0001234 | Pa×s | 648.62 | Joback Calculated Property |
| η | 0.0000682 | Pa×s | 723.67 | Joback Calculated Property |
| η | 0.0000422 | Pa×s | 798.71 | Joback Calculated Property |
| η | 0.0000283 | Pa×s | 873.75 | Joback Calculated Property |
| η | 0.0000203 | Pa×s | 948.80 | Joback Calculated Property |
| η | 0.0000152 | Pa×s | 1023.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, hept-2-yl tridecyl ester.
Sources
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