- InChI
- InChI=1S/C17H25ClO2/c1-3-4-5-6-7-8-10-14(2)20-17(19)15-11-9-12-16(18)13-15/h9,11-14H,3-8,10H2,1-2H3
- InChI Key
- NNZBVJPJGGLPEB-UHFFFAOYSA-N
- Formula
- C17H25ClO2
- SMILES
- CCCCCCCCC(C)OC(=O)c1cccc(Cl)c1
- Molecular Weight1
- 296.83
- 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 | 0.7890 | Relay (... Calculated Property | |
| ΔfG° | -53.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -522.31 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 36.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.96 | kJ/mol | Relay (... Calculated Property |
| IE | 9.23 | eV | Relay (... Calculated Property |
| log10WS | -6.12 | Relay (... Calculated Property | |
| logPoct/wat | 5.636 | Crippen Calculated Property | |
| McVol | 246.310 | ml/mol | McGowan Calculated Property |
| Pc | 1578.46 | kPa | Joback Calculated Property |
| Inp | 1968.00 | NIST | |
| Tboil | 600.75 | K | Relay (... Calculated Property |
| Tc | 802.15 | K | Relay (... Calculated Property |
| Tfus | 271.56 | K | Relay (... Calculated Property |
| Vc | 0.915 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [685.54; 770.37] | J/mol×K | [733.30; 934.38] | 
|
| Cp,gas | 685.54 | J/mol×K | 733.30 | Joback Calculated Property |
| Cp,gas | 702.08 | J/mol×K | 766.81 | Joback Calculated Property |
| Cp,gas | 717.61 | J/mol×K | 800.33 | Joback Calculated Property |
| Cp,gas | 732.18 | J/mol×K | 833.84 | Joback Calculated Property |
| Cp,gas | 745.81 | J/mol×K | 867.35 | Joback Calculated Property |
| Cp,gas | 758.53 | J/mol×K | 900.86 | Joback Calculated Property |
| Cp,gas | 770.37 | J/mol×K | 934.38 | Joback Calculated Property |
| η | [0.0000898; 0.0013311] | Pa×s | [407.37; 733.30] |
|
| η | 0.0013311 | Pa×s | 407.37 | Joback Calculated Property |
| η | 0.0006521 | Pa×s | 461.69 | Joback Calculated Property |
| η | 0.0003712 | Pa×s | 516.01 | Joback Calculated Property |
| η | 0.0002353 | Pa×s | 570.34 | Joback Calculated Property |
| η | 0.0001614 | Pa×s | 624.66 | Joback Calculated Property |
| η | 0.0001176 | Pa×s | 678.98 | Joback Calculated Property |
| η | 0.0000898 | Pa×s | 733.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Decan-2-yl 3-chlorobenzoate.
Sources
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