- InChI
- InChI=1S/C27H36O5/c1-22(2)20-30-26(28)14-10-5-3-4-6-11-15-27(29)31-21-23-16-18-25(19-17-23)32-24-12-8-7-9-13-24/h7-9,12-13,16-19,22H,3-6,10-11,14-15,20-21H2,1-2H3
- InChI Key
- XUNJNWYFEMJHNK-UHFFFAOYSA-N
- Formula
- C27H36O5
- SMILES
-
CC(C)COC(=O)CCCCCCCCC(=O)OCc1c
cc(Oc2ccccc2)cc1 - Molecular Weight1
- 440.57
- 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 | 1.1560 | Relay (1.0) Calculated Property | |
| ΔfG° | -183.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -880.65 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 56.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 127.08 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.11 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.65 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.842 | Crippen Calculated Property | |
| McVol | 364.520 | ml/mol | McGowan Calculated Property |
| Pc | 1054.14 | kPa | Joback Calculated Property |
| Inp | 3297.00 | NIST | |
| Tboil | 722.96 | K | Relay (1.0) Calculated Property |
| Tc | 940.28 | K | Relay (1.0) Calculated Property |
| Tfus | 316.53 | K | Relay (1.0) Calculated Property |
| Vc | 1.348 | m3/kmol | Relay (1.0) 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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