- InChI
- InChI=1S/C31H58O6/c1-4-7-10-13-15-18-21-24-30(33)36-27-28(26-35-29(32)23-20-17-12-9-6-3)37-31(34)25-22-19-16-14-11-8-5-2/h28H,4-27H2,1-3H3
- InChI Key
- KHOXIGZKRZJQTF-UHFFFAOYSA-N
- Formula
- C31H58O6
- SMILES
-
CCCCCCCCCC(=O)OCC(COC(=O)CCCCC
CC)OC(=O)CCCCCCCCC - Molecular Weight1
- 526.79
- CAS
- 82426-88-8
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 1.4418 | Relay (1.0) Calculated Property | |
| ΔfG° | -494.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1593.01 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 80.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 147.67 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.70 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.74 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.627 | Crippen Calculated Property | |
| McVol | 469.970 | ml/mol | McGowan Calculated Property |
| Pc | 610.27 | kPa | Joback Calculated Property |
| Inp | [3348.10; 3348.10] |
|
|
| Inp | 3348.10 | NIST | |
| Inp | 3348.10 | NIST | |
| Tboil | 696.92 | K | Relay (1.0) Calculated Property |
| Tc | 858.74 | K | Relay (1.0) Calculated Property |
| Tfus | 302.91 | K | Relay (1.0) Calculated Property |
| Vc | 1.808 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1713.18; 1780.30] | J/mol×K | [1137.11; 1459.53] |
|
| Cp,gas | 1713.18 | J/mol×K | 1137.11 | Joback Calculated Property |
| Cp,gas | 1733.74 | J/mol×K | 1190.85 | Joback Calculated Property |
| Cp,gas | 1750.34 | J/mol×K | 1244.58 | Joback Calculated Property |
| Cp,gas | 1763.15 | J/mol×K | 1298.32 | Joback Calculated Property |
| Cp,gas | 1772.30 | J/mol×K | 1352.06 | Joback Calculated Property |
| Cp,gas | 1777.97 | J/mol×K | 1405.79 | Joback Calculated Property |
| Cp,gas | 1780.30 | J/mol×K | 1459.53 | Joback Calculated Property |
| η | [0.0000059; 0.0001157] | Pa×s | [640.61; 1137.11] |
|
| η | 0.0001157 | Pa×s | 640.61 | Joback Calculated Property |
| η | 0.0000530 | Pa×s | 723.36 | Joback Calculated Property |
| η | 0.0000285 | Pa×s | 806.11 | Joback Calculated Property |
| η | 0.0000172 | Pa×s | 888.86 | Joback Calculated Property |
| η | 0.0000113 | Pa×s | 971.61 | Joback Calculated Property |
| η | 0.0000079 | Pa×s | 1054.36 | Joback Calculated Property |
| η | 0.0000059 | Pa×s | 1137.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-(Octanoyloxy)propane-1,2-diyl bis(decanoate).
Sources
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