- InChI
- InChI=1S/C16H19ClO4/c1-3-4-5-10-20-15(18)8-9-16(19)21-14-11-12(2)6-7-13(14)17/h6-9,11H,3-5,10H2,1-2H3/b9-8+
- InChI Key
- LRSWQFVWJUANNJ-CMDGGOBGSA-N
- Formula
- C16H19ClO4
- SMILES
-
CCCCCOC(=O)C=CC(=O)Oc1cc(C)ccc
1Cl - Molecular Weight1
- 310.77
- 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° | -222.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -548.10 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.46 | kJ/mol | Joback Calculated Property |
| log10WS | -4.59 | Crippen Calculated Property | |
| logPoct/wat | 3.843 | Crippen Calculated Property | |
| McVol | 235.360 | ml/mol | McGowan Calculated Property |
| Pc | 1816.95 | kPa | Joback Calculated Property |
| Inp | 2241.00 | NIST | |
| Tboil | 796.29 | K | Joback Calculated Property |
| Tc | 1008.62 | K | Joback Calculated Property |
| Tfus | 490.70 | K | Joback Calculated Property |
| Vc | 0.900 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [648.45; 714.98] | J/mol×K | [796.29; 1008.62] | 
|
| Cp,gas | 648.45 | J/mol×K | 796.29 | Joback Calculated Property |
| Cp,gas | 661.84 | J/mol×K | 831.68 | Joback Calculated Property |
| Cp,gas | 674.28 | J/mol×K | 867.07 | Joback Calculated Property |
| Cp,gas | 685.80 | J/mol×K | 902.46 | Joback Calculated Property |
| Cp,gas | 696.40 | J/mol×K | 937.85 | Joback Calculated Property |
| Cp,gas | 706.13 | J/mol×K | 973.23 | Joback Calculated Property |
| Cp,gas | 714.98 | J/mol×K | 1008.62 | Joback Calculated Property |
| η | [0.0000725; 0.0005682] | Pa×s | [490.70; 796.29] |
|
| η | 0.0005682 | Pa×s | 490.70 | Joback Calculated Property |
| η | 0.0003431 | Pa×s | 541.63 | Joback Calculated Property |
| η | 0.0002260 | Pa×s | 592.56 | Joback Calculated Property |
| η | 0.0001590 | Pa×s | 643.50 | Joback Calculated Property |
| η | 0.0001178 | Pa×s | 694.43 | Joback Calculated Property |
| η | 0.0000909 | Pa×s | 745.36 | Joback Calculated Property |
| η | 0.0000725 | Pa×s | 796.29 | Joback Calculated Property |
Similar Compounds
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Sources
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