- InChI
- InChI=1S/C19H27ClO2/c1-2-3-4-5-6-7-8-9-10-15-22-19(21)16-17-11-13-18(20)14-12-17/h9-14H,2-8,15-16H2,1H3/b10-9+
- InChI Key
- XCNFLAOJPRZLSG-MDZDMXLPSA-N
- Formula
- C19H27ClO2
- SMILES
-
CCCCCCCCC=CCOC(=O)Cc1ccc(Cl)cc
1 - Molecular Weight1
- 322.87
- 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 | 0.7902 | Relay (1.0) Calculated Property | |
| ΔfG° | 46.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -487.39 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.31 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.40 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.39 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.732 | Crippen Calculated Property | |
| McVol | 270.190 | ml/mol | McGowan Calculated Property |
| Pc | 1408.01 | kPa | Joback Calculated Property |
| Inp | 2361.00 | NIST | |
| Tboil | 628.98 | K | Relay (1.0) Calculated Property |
| Tc | 831.96 | K | Relay (1.0) Calculated Property |
| Tfus | 276.95 | K | Relay (1.0) Calculated Property |
| Vc | 0.972 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [773.81; 858.15] | J/mol×K | [783.66; 985.06] | 
|
| Cp,gas | 773.81 | J/mol×K | 783.66 | Joback Calculated Property |
| Cp,gas | 790.18 | J/mol×K | 817.23 | Joback Calculated Property |
| Cp,gas | 805.56 | J/mol×K | 850.79 | Joback Calculated Property |
| Cp,gas | 820.00 | J/mol×K | 884.36 | Joback Calculated Property |
| Cp,gas | 833.55 | J/mol×K | 917.92 | Joback Calculated Property |
| Cp,gas | 846.24 | J/mol×K | 951.49 | Joback Calculated Property |
| Cp,gas | 858.15 | J/mol×K | 985.06 | Joback Calculated Property |
| η | [0.0000652; 0.0008699] | Pa×s | [439.83; 783.66] |
|
| η | 0.0008699 | Pa×s | 439.83 | Joback Calculated Property |
| η | 0.0004404 | Pa×s | 497.14 | Joback Calculated Property |
| η | 0.0002566 | Pa×s | 554.44 | Joback Calculated Property |
| η | 0.0001655 | Pa×s | 611.75 | Joback Calculated Property |
| η | 0.0001150 | Pa×s | 669.05 | Joback Calculated Property |
| η | 0.0000847 | Pa×s | 726.36 | Joback Calculated Property |
| η | 0.0000652 | Pa×s | 783.66 | Joback Calculated Property |
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Sources
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