- InChI
- InChI=1S/C27H28O5/c1-20(2)9-8-16-30-26(28)22-11-7-12-23(18-22)27(29)31-19-21-10-6-15-25(17-21)32-24-13-4-3-5-14-24/h3-7,10-15,17-18,20H,8-9,16,19H2,1-2H3
- InChI Key
- WYHDMCIVGHGCLU-UHFFFAOYSA-N
- Formula
- C27H28O5
- SMILES
-
CC(C)CCCOC(=O)c1cccc(C(=O)OCc2
cccc(Oc3ccccc3)c2)c1 - Molecular Weight1
- 432.51
- 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° | -80.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -541.06 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 50.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.18 | kJ/mol | Joback Calculated Property |
| log10WS | -7.55 | Crippen Calculated Property | |
| logPoct/wat | 6.429 | Crippen Calculated Property | |
| McVol | 340.760 | ml/mol | McGowan Calculated Property |
| Pc | 1308.95 | kPa | Joback Calculated Property |
| Inp | [3417.00; 3417.00] |
|
|
| Inp | 3417.00 | NIST | |
| Inp | 3417.00 | NIST | |
| Tboil | 1081.72 | K | Joback Calculated Property |
| Tc | 1329.77 | K | Joback Calculated Property |
| Tfus | 649.90 | K | Joback Calculated Property |
| Vc | 1.284 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1110.38; 1146.40] | J/mol×K | [1081.72; 1329.77] |
|
| Cp,gas | 1110.38 | J/mol×K | 1081.72 | Joback Calculated Property |
| Cp,gas | 1120.60 | J/mol×K | 1123.06 | Joback Calculated Property |
| Cp,gas | 1129.05 | J/mol×K | 1164.40 | Joback Calculated Property |
| Cp,gas | 1135.79 | J/mol×K | 1205.74 | Joback Calculated Property |
| Cp,gas | 1140.88 | J/mol×K | 1247.09 | Joback Calculated Property |
| Cp,gas | 1144.40 | J/mol×K | 1288.43 | Joback Calculated Property |
| Cp,gas | 1146.40 | J/mol×K | 1329.77 | Joback Calculated Property |
| η | [0.0000145; 0.0001451] | Pa×s | [649.90; 1081.72] |
|
| η | 0.0001451 | Pa×s | 649.90 | Joback Calculated Property |
| η | 0.0000817 | Pa×s | 721.87 | Joback Calculated Property |
| η | 0.0000510 | Pa×s | 793.84 | Joback Calculated Property |
| η | 0.0000345 | Pa×s | 865.81 | Joback Calculated Property |
| η | 0.0000247 | Pa×s | 937.78 | Joback Calculated Property |
| η | 0.0000186 | Pa×s | 1009.75 | Joback Calculated Property |
| η | 0.0000145 | Pa×s | 1081.72 | Joback Calculated Property |
Similar Compounds
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Sources
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