- InChI
- InChI=1S/C21H24O4/c1-16-6-3-8-18(12-16)14-24-20(22)10-5-11-21(23)25-15-19-9-4-7-17(2)13-19/h3-4,6-9,12-13H,5,10-11,14-15H2,1-2H3
- InChI Key
- JPVAVXIJQUCDOP-UHFFFAOYSA-N
- Formula
- C21H24O4
- SMILES
-
Cc1cccc(COC(=O)CCCC(=O)OCc2ccc
c(C)c2)c1 - Molecular Weight1
- 340.42
- 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 | 0.8888 | Relay (1.0) Calculated Property | |
| ΔfG° | -289.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -615.97 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 112.55 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.28 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.79 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.260 | Crippen Calculated Property | |
| McVol | 274.110 | ml/mol | McGowan Calculated Property |
| Pc | 1488.44 | kPa | Joback Calculated Property |
| Inp | [2954.00; 2954.00] |
|
|
| Inp | 2954.00 | NIST | |
| Inp | 2954.00 | NIST | |
| Tboil | 665.75 | K | Relay (1.0) Calculated Property |
| Tc | 906.34 | K | Relay (1.0) Calculated Property |
| Tfus | 306.35 | K | Relay (1.0) Calculated Property |
| Vc | 1.015 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [827.62; 894.52] | J/mol×K | [859.84; 1078.87] |
|
| Cp,gas | 827.62 | J/mol×K | 859.84 | Joback Calculated Property |
| Cp,gas | 842.11 | J/mol×K | 896.35 | Joback Calculated Property |
| Cp,gas | 855.21 | J/mol×K | 932.85 | Joback Calculated Property |
| Cp,gas | 866.97 | J/mol×K | 969.36 | Joback Calculated Property |
| Cp,gas | 877.41 | J/mol×K | 1005.86 | Joback Calculated Property |
| Cp,gas | 886.58 | J/mol×K | 1042.37 | Joback Calculated Property |
| Cp,gas | 894.52 | J/mol×K | 1078.87 | Joback Calculated Property |
| η | [0.0000380; 0.0005504] | Pa×s | [488.97; 859.84] |
|
| η | 0.0005504 | Pa×s | 488.97 | Joback Calculated Property |
| η | 0.0002745 | Pa×s | 550.78 | Joback Calculated Property |
| η | 0.0001575 | Pa×s | 612.59 | Joback Calculated Property |
| η | 0.0001001 | Pa×s | 674.40 | Joback Calculated Property |
| η | 0.0000686 | Pa×s | 736.22 | Joback Calculated Property |
| η | 0.0000499 | Pa×s | 798.03 | Joback Calculated Property |
| η | 0.0000380 | Pa×s | 859.84 | Joback Calculated Property |
Similar Compounds
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Sources
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