- InChI
- InChI=1S/C15H21ClO3/c1-2-3-4-5-6-11-18-15(17)12-19-14-9-7-13(16)8-10-14/h7-10H,2-6,11-12H2,1H3
- InChI Key
- OUXFIMPFXKORKT-UHFFFAOYSA-N
- Formula
- C15H21ClO3
- SMILES
- CCCCCCCOC(=O)COc1ccc(Cl)cc1
- Molecular Weight1
- 284.78
- 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 | 0.7997 | Relay (1.0) Calculated Property | |
| ΔfG° | -172.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -585.33 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.40 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.31 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.19 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.232 | Crippen Calculated Property | |
| McVol | 224.000 | ml/mol | McGowan Calculated Property |
| Pc | 1810.77 | kPa | Joback Calculated Property |
| Inp | [2590.00; 2590.00] |
|
|
| Inp | 2590.00 | NIST | |
| Inp | 2590.00 | NIST | |
| Tboil | 613.35 | K | Relay (1.0) Calculated Property |
| Tc | 801.55 | K | Relay (1.0) Calculated Property |
| Tfus | 300.33 | K | Relay (1.0) Calculated Property |
| Vc | 0.831 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [603.11; 681.20] | J/mol×K | [710.40; 911.11] |
|
| Cp,gas | 603.11 | J/mol×K | 710.40 | Joback Calculated Property |
| Cp,gas | 618.35 | J/mol×K | 743.85 | Joback Calculated Property |
| Cp,gas | 632.69 | J/mol×K | 777.30 | Joback Calculated Property |
| Cp,gas | 646.13 | J/mol×K | 810.75 | Joback Calculated Property |
| Cp,gas | 658.68 | J/mol×K | 844.20 | Joback Calculated Property |
| Cp,gas | 670.37 | J/mol×K | 877.66 | Joback Calculated Property |
| Cp,gas | 681.20 | J/mol×K | 911.11 | Joback Calculated Property |
| η | [0.0000960; 0.0009352] | Pa×s | [422.06; 710.40] |
|
| η | 0.0009352 | Pa×s | 422.06 | Joback Calculated Property |
| η | 0.0005272 | Pa×s | 470.12 | Joback Calculated Property |
| η | 0.0003305 | Pa×s | 518.17 | Joback Calculated Property |
| η | 0.0002243 | Pa×s | 566.23 | Joback Calculated Property |
| η | 0.0001617 | Pa×s | 614.29 | Joback Calculated Property |
| η | 0.0001223 | Pa×s | 662.34 | Joback Calculated Property |
| η | 0.0000960 | Pa×s | 710.40 | Joback Calculated Property |
Similar Compounds
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Sources
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