- InChI
- InChI=1S/C21H22O5/c1-2-3-15-24-20(22)13-14-21(23)25-16-17-9-11-19(12-10-17)26-18-7-5-4-6-8-18/h4-14H,2-3,15-16H2,1H3/b14-13+
- InChI Key
- LFSGXOWDOWBBFO-BUHFOSPRSA-N
- Formula
- C21H22O5
- SMILES
-
CCCCOC(=O)C=CC(=O)OCc1ccc(Oc2c
cccc2)cc1 - Molecular Weight1
- 354.40
- 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° | -151.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -519.78 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.23 | kJ/mol | Joback Calculated Property |
| log10WS | -4.91 | Crippen Calculated Property | |
| logPoct/wat | 4.422 | Crippen Calculated Property | |
| McVol | 275.680 | ml/mol | McGowan Calculated Property |
| Pc | 1652.46 | kPa | Joback Calculated Property |
| Inp | [2713.00; 2713.00] |
|
|
| Inp | 2713.00 | NIST | |
| Inp | 2713.00 | NIST | |
| Tboil | 917.38 | K | Joback Calculated Property |
| Tc | 1144.64 | K | Joback Calculated Property |
| Tfus | 553.26 | K | Joback Calculated Property |
| Vc | 1.042 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [838.55; 898.83] | J/mol×K | [917.38; 1144.64] |
|
| Cp,gas | 838.55 | J/mol×K | 917.38 | Joback Calculated Property |
| Cp,gas | 851.72 | J/mol×K | 955.26 | Joback Calculated Property |
| Cp,gas | 863.59 | J/mol×K | 993.13 | Joback Calculated Property |
| Cp,gas | 874.19 | J/mol×K | 1031.01 | Joback Calculated Property |
| Cp,gas | 883.57 | J/mol×K | 1068.89 | Joback Calculated Property |
| Cp,gas | 891.77 | J/mol×K | 1106.77 | Joback Calculated Property |
| Cp,gas | 898.83 | J/mol×K | 1144.64 | Joback Calculated Property |
| η | [0.0000320; 0.0003041] | Pa×s | [553.26; 917.38] |
|
| η | 0.0003041 | Pa×s | 553.26 | Joback Calculated Property |
| η | 0.0001736 | Pa×s | 613.95 | Joback Calculated Property |
| η | 0.0001096 | Pa×s | 674.63 | Joback Calculated Property |
| η | 0.0000747 | Pa×s | 735.32 | Joback Calculated Property |
| η | 0.0000539 | Pa×s | 796.01 | Joback Calculated Property |
| η | 0.0000408 | Pa×s | 856.69 | Joback Calculated Property |
| η | 0.0000320 | Pa×s | 917.38 | Joback Calculated Property |
Similar Compounds
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Sources
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