- InChI
- InChI=1S/C27H28O5/c1-2-3-4-8-17-30-26(28)22-12-10-13-23(19-22)27(29)31-20-21-11-9-16-25(18-21)32-24-14-6-5-7-15-24/h5-7,9-16,18-19H,2-4,8,17,20H2,1H3
- InChI Key
- PLBCMBRXGNRNJD-UHFFFAOYSA-N
- Formula
- C27H28O5
- SMILES
-
CCCCCCOC(=O)c1cccc(C(=O)OCc2cc
cc(Oc3ccccc3)c2)c1 - Molecular Weight1
- 432.51
- 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 | 1.0976 | Relay (1.0) Calculated Property | |
| ΔfG° | -78.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -644.92 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 53.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 127.33 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.09 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.22 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.573 | Crippen Calculated Property | |
| McVol | 340.760 | ml/mol | McGowan Calculated Property |
| Pc | 1301.41 | kPa | Joback Calculated Property |
| Inp | 3460.00 | NIST | |
| Tboil | 741.99 | K | Relay (1.0) Calculated Property |
| Tc | 1021.05 | K | Relay (1.0) Calculated Property |
| Tfus | 303.72 | K | Relay (1.0) Calculated Property |
| Vc | 1.248 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1110.16; 1147.02] | J/mol×K | [1082.16; 1329.02] | 
|
| Cp,gas | 1110.16 | J/mol×K | 1082.16 | Joback Calculated Property |
| Cp,gas | 1120.44 | J/mol×K | 1123.30 | Joback Calculated Property |
| Cp,gas | 1128.98 | J/mol×K | 1164.45 | Joback Calculated Property |
| Cp,gas | 1135.84 | J/mol×K | 1205.59 | Joback Calculated Property |
| Cp,gas | 1141.09 | J/mol×K | 1246.73 | Joback Calculated Property |
| Cp,gas | 1144.79 | J/mol×K | 1287.87 | Joback Calculated Property |
| Cp,gas | 1147.02 | J/mol×K | 1329.02 | Joback Calculated Property |
| η | [0.0000160; 0.0001376] | Pa×s | [664.90; 1082.16] |
|
| η | 0.0001376 | Pa×s | 664.90 | Joback Calculated Property |
| η | 0.0000812 | Pa×s | 734.44 | Joback Calculated Property |
| η | 0.0000524 | Pa×s | 803.99 | Joback Calculated Property |
| η | 0.0000363 | Pa×s | 873.53 | Joback Calculated Property |
| η | 0.0000266 | Pa×s | 943.07 | Joback Calculated Property |
| η | 0.0000203 | Pa×s | 1012.62 | Joback Calculated Property |
| η | 0.0000160 | Pa×s | 1082.16 | Joback Calculated Property |
Similar Compounds
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Sources
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