- InChI
- InChI=1S/C18H27ClO3/c1-2-3-4-5-6-7-8-9-14-21-18(20)15-22-17-12-10-16(19)11-13-17/h10-13H,2-9,14-15H2,1H3
- InChI Key
- IYEKAGHJDDMHEC-UHFFFAOYSA-N
- Formula
- C18H27ClO3
- SMILES
- CCCCCCCCCCOC(=O)COc1ccc(Cl)cc1
- Molecular Weight1
- 326.86
- 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 | 0.9183 | Relay (1.0) Calculated Property | |
| ΔfG° | -147.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -652.02 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 44.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.43 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.37 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.14 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.403 | Crippen Calculated Property | |
| McVol | 266.270 | ml/mol | McGowan Calculated Property |
| Pc | 1436.98 | kPa | Joback Calculated Property |
| Inp | [2899.00; 2899.00] |
|
|
| Inp | 2899.00 | NIST | |
| Inp | 2899.00 | NIST | |
| Tboil | 635.42 | K | Relay (1.0) Calculated Property |
| Tc | 828.59 | K | Relay (1.0) Calculated Property |
| Tfus | 312.46 | K | Relay (1.0) Calculated Property |
| Vc | 0.997 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [770.54; 852.92] | J/mol×K | [779.04; 975.83] |
|
| Cp,gas | 770.54 | J/mol×K | 779.04 | Joback Calculated Property |
| Cp,gas | 786.73 | J/mol×K | 811.84 | Joback Calculated Property |
| Cp,gas | 801.92 | J/mol×K | 844.64 | Joback Calculated Property |
| Cp,gas | 816.11 | J/mol×K | 877.43 | Joback Calculated Property |
| Cp,gas | 829.32 | J/mol×K | 910.23 | Joback Calculated Property |
| Cp,gas | 841.59 | J/mol×K | 943.03 | Joback Calculated Property |
| Cp,gas | 852.92 | J/mol×K | 975.83 | Joback Calculated Property |
| η | [0.0000650; 0.0007244] | Pa×s | [455.87; 779.04] |
|
| η | 0.0007244 | Pa×s | 455.87 | Joback Calculated Property |
| η | 0.0003920 | Pa×s | 509.73 | Joback Calculated Property |
| η | 0.0002385 | Pa×s | 563.59 | Joback Calculated Property |
| η | 0.0001583 | Pa×s | 617.45 | Joback Calculated Property |
| η | 0.0001122 | Pa×s | 671.32 | Joback Calculated Property |
| η | 0.0000837 | Pa×s | 725.18 | Joback Calculated Property |
| η | 0.0000650 | Pa×s | 779.04 | Joback Calculated Property |
Similar Compounds
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Sources
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