- InChI
- InChI=1S/C28H38O4/c1-23(2)15-14-22-31-27(29)20-10-5-3-4-6-11-21-28(30)32-26-19-13-12-18-25(26)24-16-8-7-9-17-24/h7-9,12-13,16-19,23H,3-6,10-11,14-15,20-22H2,1-2H3
- InChI Key
- YZWNUXDMZDWYCK-UHFFFAOYSA-N
- Formula
- C28H38O4
- SMILES
-
CC(C)CCCOC(=O)CCCCCCCCC(=O)Oc1
ccccc1-c1ccccc1 - Molecular Weight1
- 438.60
- 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° | -70.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -654.54 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 58.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.06 | kJ/mol | Joback Calculated Property |
| log10WS | -8.87 | Crippen Calculated Property | |
| logPoct/wat | 7.359 | Crippen Calculated Property | |
| McVol | 372.740 | ml/mol | McGowan Calculated Property |
| Pc | 1002.08 | kPa | Joback Calculated Property |
| Inp | [3249.00; 3249.00] |
|
|
| Inp | 3249.00 | NIST | |
| Inp | 3249.00 | NIST | |
| Tboil | 1050.52 | K | Joback Calculated Property |
| Tc | 1286.15 | K | Joback Calculated Property |
| Tfus | 600.00 | K | Joback Calculated Property |
| Vc | 1.429 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1260.78; 1326.66] | J/mol×K | [1050.52; 1286.15] |
|
| Cp,gas | 1260.78 | J/mol×K | 1050.52 | Joback Calculated Property |
| Cp,gas | 1275.50 | J/mol×K | 1089.79 | Joback Calculated Property |
| Cp,gas | 1288.62 | J/mol×K | 1129.06 | Joback Calculated Property |
| Cp,gas | 1300.21 | J/mol×K | 1168.34 | Joback Calculated Property |
| Cp,gas | 1310.36 | J/mol×K | 1207.61 | Joback Calculated Property |
| Cp,gas | 1319.15 | J/mol×K | 1246.88 | Joback Calculated Property |
| Cp,gas | 1326.66 | J/mol×K | 1286.15 | Joback Calculated Property |
| η | [0.0000158; 0.0002284] | Pa×s | [600.00; 1050.52] |
|
| η | 0.0002284 | Pa×s | 600.00 | Joback Calculated Property |
| η | 0.0001143 | Pa×s | 675.09 | Joback Calculated Property |
| η | 0.0000657 | Pa×s | 750.17 | Joback Calculated Property |
| η | 0.0000417 | Pa×s | 825.26 | Joback Calculated Property |
| η | 0.0000286 | Pa×s | 900.35 | Joback Calculated Property |
| η | 0.0000208 | Pa×s | 975.43 | Joback Calculated Property |
| η | 0.0000158 | Pa×s | 1050.52 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, isohexyl 2-phenylphenyl ester.
Sources
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