- InChI
- InChI=1S/C27H36O5/c1-3-4-5-6-7-9-13-22(2)31-27(29)19-18-26(28)30-21-23-14-12-17-25(20-23)32-24-15-10-8-11-16-24/h8,10-12,14-17,20,22H,3-7,9,13,18-19,21H2,1-2H3
- InChI Key
- VORHSEJOTQJKNJ-UHFFFAOYSA-N
- Formula
- C27H36O5
- SMILES
-
CCCCCCCCC(C)OC(=O)CCC(=O)OCc1c
ccc(Oc2ccccc2)c1 - Molecular Weight1
- 440.57
- 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° | -183.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -766.12 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 56.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.24 | kJ/mol | Joback Calculated Property |
| log10WS | -7.68 | Crippen Calculated Property | |
| logPoct/wat | 6.985 | Crippen Calculated Property | |
| McVol | 364.520 | ml/mol | McGowan Calculated Property |
| Pc | 1054.14 | kPa | Joback Calculated Property |
| Inp | [3133.00; 3133.00] |
|
|
| Inp | 3133.00 | NIST | |
| Inp | 3133.00 | NIST | |
| Tboil | 1050.06 | K | Joback Calculated Property |
| Tc | 1285.62 | K | Joback Calculated Property |
| Tfus | 610.96 | K | Joback Calculated Property |
| Vc | 1.391 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1226.04; 1281.23] | J/mol×K | [1050.06; 1285.62] |
|
| Cp,gas | 1226.04 | J/mol×K | 1050.06 | Joback Calculated Property |
| Cp,gas | 1239.46 | J/mol×K | 1089.32 | Joback Calculated Property |
| Cp,gas | 1251.12 | J/mol×K | 1128.58 | Joback Calculated Property |
| Cp,gas | 1261.07 | J/mol×K | 1167.84 | Joback Calculated Property |
| Cp,gas | 1269.37 | J/mol×K | 1207.10 | Joback Calculated Property |
| Cp,gas | 1276.07 | J/mol×K | 1246.36 | Joback Calculated Property |
| Cp,gas | 1281.23 | J/mol×K | 1285.62 | Joback Calculated Property |
| η | [0.0000135; 0.0001782] | Pa×s | [610.96; 1050.06] |
|
| η | 0.0001782 | Pa×s | 610.96 | Joback Calculated Property |
| η | 0.0000922 | Pa×s | 684.14 | Joback Calculated Property |
| η | 0.0000542 | Pa×s | 757.33 | Joback Calculated Property |
| η | 0.0000349 | Pa×s | 830.51 | Joback Calculated Property |
| η | 0.0000242 | Pa×s | 903.69 | Joback Calculated Property |
| η | 0.0000177 | Pa×s | 976.88 | Joback Calculated Property |
| η | 0.0000135 | Pa×s | 1050.06 | Joback Calculated Property |
Similar Compounds
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Sources
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