- InChI
- InChI=1S/C26H40O6/c1-3-5-7-9-14-18-24(27)30-20-23(32-25(28)19-15-10-8-6-4-2)21-31-26(29)22-16-12-11-13-17-22/h11-13,16-17,23H,3-10,14-15,18-21H2,1-2H3
- InChI Key
- CAVVDWNDQLBBCW-UHFFFAOYSA-N
- Formula
- C26H40O6
- SMILES
-
CCCCCCCC(=O)OCC(COC(=O)c1ccccc
1)OC(=O)CCCCCCC - Molecular Weight1
- 448.59
- 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° | -423.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1083.12 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 61.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.83 | kJ/mol | Joback Calculated Property |
| log10WS | -7.09 | Crippen Calculated Property | |
| logPoct/wat | 6.019 | Crippen Calculated Property | |
| McVol | 375.760 | ml/mol | McGowan Calculated Property |
| Pc | 954.37 | kPa | Joback Calculated Property |
| Inp | [3016.40; 3016.40] |
|
|
| Inp | 3016.40 | NIST | |
| Inp | 3016.40 | NIST | |
| Tboil | 1049.39 | K | Joback Calculated Property |
| Tc | 1288.14 | K | Joback Calculated Property |
| Tfus | 610.68 | K | Joback Calculated Property |
| Vc | 1.450 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1285.97; 1345.01] | J/mol×K | [1049.39; 1288.14] |
|
| Cp,gas | 1285.97 | J/mol×K | 1049.39 | Joback Calculated Property |
| Cp,gas | 1300.44 | J/mol×K | 1089.18 | Joback Calculated Property |
| Cp,gas | 1312.99 | J/mol×K | 1128.97 | Joback Calculated Property |
| Cp,gas | 1323.67 | J/mol×K | 1168.77 | Joback Calculated Property |
| Cp,gas | 1332.53 | J/mol×K | 1208.56 | Joback Calculated Property |
| Cp,gas | 1339.63 | J/mol×K | 1248.35 | Joback Calculated Property |
| Cp,gas | 1345.01 | J/mol×K | 1288.14 | Joback Calculated Property |
| η | [0.0000138; 0.0002043] | Pa×s | [610.68; 1049.39] |
|
| η | 0.0002043 | Pa×s | 610.68 | Joback Calculated Property |
| η | 0.0001026 | Pa×s | 683.80 | Joback Calculated Property |
| η | 0.0000588 | Pa×s | 756.92 | Joback Calculated Property |
| η | 0.0000372 | Pa×s | 830.03 | Joback Calculated Property |
| η | 0.0000254 | Pa×s | 903.15 | Joback Calculated Property |
| η | 0.0000183 | Pa×s | 976.27 | Joback Calculated Property |
| η | 0.0000138 | Pa×s | 1049.39 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-(Benzoyloxy)propane-1,2-diyl dioctanoate.
Sources
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