- InChI
- InChI=1S/C21H24O4/c1-4-5-8-14-24-20(22)17-11-6-7-12-18(17)21(23)25-19-13-9-10-15(2)16(19)3/h6-7,9-13H,4-5,8,14H2,1-3H3
- InChI Key
- BWCBGCGHZNQHTK-UHFFFAOYSA-N
- Formula
- C21H24O4
- SMILES
-
CCCCCOC(=O)c1ccccc1C(=O)Oc1ccc
c(C)c1C - Molecular Weight1
- 340.41
- 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° | -145.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -527.72 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.19 | kJ/mol | Joback Calculated Property |
| log10WS | -6.43 | Crippen Calculated Property | |
| logPoct/wat | 4.870 | Crippen Calculated Property | |
| McVol | 274.110 | ml/mol | McGowan Calculated Property |
| Pc | 1568.47 | kPa | Joback Calculated Property |
| Inp | [2575.00; 2575.00] |
|
|
| Inp | 2575.00 | NIST | |
| Inp | 2575.00 | NIST | |
| Tboil | 900.76 | K | Joback Calculated Property |
| Tc | 1124.68 | K | Joback Calculated Property |
| Tfus | 561.15 | K | Joback Calculated Property |
| Vc | 1.044 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [837.12; 902.19] | J/mol×K | [900.76; 1124.68] |
|
| Cp,gas | 837.12 | J/mol×K | 900.76 | Joback Calculated Property |
| Cp,gas | 851.18 | J/mol×K | 938.08 | Joback Calculated Property |
| Cp,gas | 863.92 | J/mol×K | 975.40 | Joback Calculated Property |
| Cp,gas | 875.36 | J/mol×K | 1012.72 | Joback Calculated Property |
| Cp,gas | 885.54 | J/mol×K | 1050.04 | Joback Calculated Property |
| Cp,gas | 894.47 | J/mol×K | 1087.36 | Joback Calculated Property |
| Cp,gas | 902.19 | J/mol×K | 1124.68 | Joback Calculated Property |
| η | [0.0000507; 0.0003648] | Pa×s | [561.15; 900.76] |
|
| η | 0.0003648 | Pa×s | 561.15 | Joback Calculated Property |
| η | 0.0002258 | Pa×s | 617.75 | Joback Calculated Property |
| η | 0.0001515 | Pa×s | 674.35 | Joback Calculated Property |
| η | 0.0001081 | Pa×s | 730.96 | Joback Calculated Property |
| η | 0.0000810 | Pa×s | 787.56 | Joback Calculated Property |
| η | 0.0000631 | Pa×s | 844.16 | Joback Calculated Property |
| η | 0.0000507 | Pa×s | 900.76 | Joback Calculated Property |
Similar Compounds
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Sources
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