- InChI
- InChI=1S/C23H28O5/c1-2-3-7-16-26-22(24)14-9-15-23(25)27-18-19-10-8-13-21(17-19)28-20-11-5-4-6-12-20/h4-6,8,10-13,17H,2-3,7,9,14-16,18H2,1H3
- InChI Key
- JGBWRXWAPDLSAZ-UHFFFAOYSA-N
- Formula
- C23H28O5
- SMILES
-
CCCCCOC(=O)CCCC(=O)OCc1cccc(Oc
2ccccc2)c1 - Molecular Weight1
- 384.47
- 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 | 1.0237 | Relay (1.0) Calculated Property | |
| ΔfG° | -214.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -781.65 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 49.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 115.80 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.09 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.58 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.426 | Crippen Calculated Property | |
| McVol | 308.160 | ml/mol | McGowan Calculated Property |
| Pc | 1367.69 | kPa | Joback Calculated Property |
| Inp | 2964.00 | NIST | |
| Tboil | 697.36 | K | Relay (1.0) Calculated Property |
| Tc | 917.18 | K | Relay (1.0) Calculated Property |
| Tfus | 286.07 | K | Relay (1.0) Calculated Property |
| Vc | 1.135 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [984.53; 1044.12] | J/mol×K | [958.98; 1182.01] | 
|
| Cp,gas | 984.53 | J/mol×K | 958.98 | Joback Calculated Property |
| Cp,gas | 998.05 | J/mol×K | 996.15 | Joback Calculated Property |
| Cp,gas | 1010.09 | J/mol×K | 1033.32 | Joback Calculated Property |
| Cp,gas | 1020.69 | J/mol×K | 1070.49 | Joback Calculated Property |
| Cp,gas | 1029.87 | J/mol×K | 1107.66 | Joback Calculated Property |
| Cp,gas | 1037.67 | J/mol×K | 1144.84 | Joback Calculated Property |
| Cp,gas | 1044.12 | J/mol×K | 1182.01 | Joback Calculated Property |
| η | [0.0000273; 0.0002656] | Pa×s | [580.88; 958.98] |
|
| η | 0.0002656 | Pa×s | 580.88 | Joback Calculated Property |
| η | 0.0001511 | Pa×s | 643.90 | Joback Calculated Property |
| η | 0.0000950 | Pa×s | 706.91 | Joback Calculated Property |
| η | 0.0000644 | Pa×s | 769.93 | Joback Calculated Property |
| η | 0.0000464 | Pa×s | 832.95 | Joback Calculated Property |
| η | 0.0000349 | Pa×s | 895.96 | Joback Calculated Property |
| η | 0.0000273 | Pa×s | 958.98 | Joback Calculated Property |
Similar Compounds
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Sources
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