- InChI
- InChI=1S/C23H28O5/c1-18(2)16-26-22(24)13-6-7-14-23(25)27-17-19-9-8-12-21(15-19)28-20-10-4-3-5-11-20/h3-5,8-12,15,18H,6-7,13-14,16-17H2,1-2H3
- InChI Key
- JVWYSYCCKHZVMA-UHFFFAOYSA-N
- Formula
- C23H28O5
- SMILES
-
CC(C)COC(=O)CCCCC(=O)OCc1cccc(
Oc2ccccc2)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 | 0.9924 | Relay (1.0) Calculated Property | |
| ΔfG° | -217.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -797.96 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 113.15 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.13 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.42 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.282 | Crippen Calculated Property | |
| McVol | 308.160 | ml/mol | McGowan Calculated Property |
| Pc | 1375.82 | kPa | Joback Calculated Property |
| Inp | 2827.00 | NIST | |
| Tboil | 693.09 | K | Relay (1.0) Calculated Property |
| Tc | 915.79 | K | Relay (1.0) Calculated Property |
| Tfus | 303.42 | K | Relay (1.0) Calculated Property |
| Vc | 1.133 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [984.98; 1044.31] | J/mol×K | [958.54; 1183.12] | 
|
| Cp,gas | 984.98 | J/mol×K | 958.54 | Joback Calculated Property |
| Cp,gas | 998.54 | J/mol×K | 995.97 | Joback Calculated Property |
| Cp,gas | 1010.58 | J/mol×K | 1033.40 | Joback Calculated Property |
| Cp,gas | 1021.15 | J/mol×K | 1070.83 | Joback Calculated Property |
| Cp,gas | 1030.27 | J/mol×K | 1108.26 | Joback Calculated Property |
| Cp,gas | 1037.98 | J/mol×K | 1145.69 | Joback Calculated Property |
| Cp,gas | 1044.31 | J/mol×K | 1183.12 | Joback Calculated Property |
| η | [0.0000249; 0.0002894] | Pa×s | [565.88; 958.54] |
|
| η | 0.0002894 | Pa×s | 565.88 | Joback Calculated Property |
| η | 0.0001556 | Pa×s | 631.32 | Joback Calculated Property |
| η | 0.0000940 | Pa×s | 696.77 | Joback Calculated Property |
| η | 0.0000619 | Pa×s | 762.21 | Joback Calculated Property |
| η | 0.0000436 | Pa×s | 827.65 | Joback Calculated Property |
| η | 0.0000323 | Pa×s | 893.10 | Joback Calculated Property |
| η | 0.0000249 | Pa×s | 958.54 | Joback Calculated Property |
Similar Compounds
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Sources
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