- InChI
- InChI=1S/C16H21ClO4/c17-12-6-1-2-7-13-20-15(18)10-11-16(19)21-14-8-4-3-5-9-14/h3-5,8-9H,1-2,6-7,10-13H2
- InChI Key
- SHAHIVFCWMQQOK-UHFFFAOYSA-N
- Formula
- C16H21ClO4
- SMILES
- O=C(CCC(=O)Oc1ccccc1)OCCCCCCCl
- Molecular Weight1
- 312.79
- 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° | -283.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -642.38 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.18 | kJ/mol | Joback Calculated Property |
| log10WS | -4.15 | Crippen Calculated Property | |
| logPoct/wat | 3.715 | Crippen Calculated Property | |
| McVol | 239.660 | ml/mol | McGowan Calculated Property |
| Pc | 1783.35 | kPa | Joback Calculated Property |
| Inp | 2435.00 | NIST | |
| Tboil | 782.17 | K | Joback Calculated Property |
| Tc | 986.96 | K | Joback Calculated Property |
| Tfus | 470.74 | K | Joback Calculated Property |
| Vc | 0.920 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [676.21; 746.25] | J/mol×K | [782.17; 986.96] | 
|
| Cp,gas | 676.21 | J/mol×K | 782.17 | Joback Calculated Property |
| Cp,gas | 690.31 | J/mol×K | 816.30 | Joback Calculated Property |
| Cp,gas | 703.41 | J/mol×K | 850.43 | Joback Calculated Property |
| Cp,gas | 715.53 | J/mol×K | 884.57 | Joback Calculated Property |
| Cp,gas | 726.70 | J/mol×K | 918.70 | Joback Calculated Property |
| Cp,gas | 736.93 | J/mol×K | 952.83 | Joback Calculated Property |
| Cp,gas | 746.25 | J/mol×K | 986.96 | Joback Calculated Property |
| η | [0.0000822; 0.0008477] | Pa×s | [470.74; 782.17] |
|
| η | 0.0008477 | Pa×s | 470.74 | Joback Calculated Property |
| η | 0.0004737 | Pa×s | 522.64 | Joback Calculated Property |
| η | 0.0002941 | Pa×s | 574.55 | Joback Calculated Property |
| η | 0.0001976 | Pa×s | 626.45 | Joback Calculated Property |
| η | 0.0001411 | Pa×s | 678.36 | Joback Calculated Property |
| η | 0.0001057 | Pa×s | 730.26 | Joback Calculated Property |
| η | 0.0000822 | Pa×s | 782.17 | Joback Calculated Property |
Similar Compounds
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Sources
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