- InChI
- InChI=1S/C27H36O5/c1-4-7-8-9-13-19-30-25(28)27(5-2,6-3)26(29)31-21-22-15-14-18-24(20-22)32-23-16-11-10-12-17-23/h10-12,14-18,20H,4-9,13,19,21H2,1-3H3
- InChI Key
- YRRZRWXJOUZZRM-UHFFFAOYSA-N
- Formula
- C27H36O5
- SMILES
-
CCCCCCCOC(=O)C(CC)(CC)C(=O)OCc
1cccc(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° | -178.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -769.59 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 52.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.34 | kJ/mol | Joback Calculated Property |
| log10WS | -7.33 | Crippen Calculated Property | |
| logPoct/wat | 6.842 | Crippen Calculated Property | |
| McVol | 364.520 | ml/mol | McGowan Calculated Property |
| Pc | 1061.71 | kPa | Joback Calculated Property |
| Inp | 3000.00 | NIST | |
| Tboil | 1047.27 | K | Joback Calculated Property |
| Tc | 1282.80 | K | Joback Calculated Property |
| Tfus | 628.38 | K | Joback Calculated Property |
| Vc | 1.387 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1226.06; 1287.34] | J/mol×K | [1047.27; 1282.80] | 
|
| Cp,gas | 1226.06 | J/mol×K | 1047.27 | Joback Calculated Property |
| Cp,gas | 1239.90 | J/mol×K | 1086.52 | Joback Calculated Property |
| Cp,gas | 1252.18 | J/mol×K | 1125.78 | Joback Calculated Property |
| Cp,gas | 1262.98 | J/mol×K | 1165.03 | Joback Calculated Property |
| Cp,gas | 1272.39 | J/mol×K | 1204.29 | Joback Calculated Property |
| Cp,gas | 1280.48 | J/mol×K | 1243.54 | Joback Calculated Property |
| Cp,gas | 1287.34 | J/mol×K | 1282.80 | Joback Calculated Property |
| η | [0.0000111; 0.0001390] | Pa×s | [628.38; 1047.27] |
|
| η | 0.0001390 | Pa×s | 628.38 | Joback Calculated Property |
| η | 0.0000739 | Pa×s | 698.19 | Joback Calculated Property |
| η | 0.0000441 | Pa×s | 768.01 | Joback Calculated Property |
| η | 0.0000287 | Pa×s | 837.83 | Joback Calculated Property |
| η | 0.0000199 | Pa×s | 907.64 | Joback Calculated Property |
| η | 0.0000146 | Pa×s | 977.45 | Joback Calculated Property |
| η | 0.0000111 | Pa×s | 1047.27 | Joback Calculated Property |
Similar Compounds
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Sources
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