- InChI
- InChI=1S/C17H25ClO2/c1-2-3-4-5-6-7-8-9-13-20-17(19)15-11-10-12-16(18)14-15/h10-12,14H,2-9,13H2,1H3
- InChI Key
- KJNHMQHNRBEWRN-UHFFFAOYSA-N
- Formula
- C17H25ClO2
- SMILES
- CCCCCCCCCCOC(=O)c1cccc(Cl)c1
- Molecular Weight1
- 296.83
- Other Names
-
- Benzoic acid, 3-chloro, decyl ester
- 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.
- I : 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 | 0.8442 | Relay (... Calculated Property | |
| ΔfG° | -50.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -507.23 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 40.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.43 | kJ/mol | Relay (... Calculated Property |
| IE | 9.21 | eV | Relay (... Calculated Property |
| log10WS | -6.55 | Relay (... Calculated Property | |
| logPoct/wat | 5.638 | Crippen Calculated Property | |
| McVol | 246.310 | ml/mol | McGowan Calculated Property |
| Pc | 1568.47 | kPa | Joback Calculated Property |
| Inp | [2109.00; 2173.00] |
|
|
| Inp | 2109.00 | NIST | |
| Inp | 2118.00 | NIST | |
| Inp | 2128.00 | NIST | |
| Inp | 2173.00 | NIST | |
| Inp | 2147.00 | NIST | |
| Inp | 2125.00 | NIST | |
| Inp | 2136.00 | NIST | |
| Inp | 2109.00 | NIST | |
| Inp | 2173.00 | NIST | |
| I | [2653.00; 2692.00] |
|
|
| I | 2653.00 | NIST | |
| I | 2669.00 | NIST | |
| I | 2689.00 | NIST | |
| I | 2692.00 | NIST | |
| I | 2658.00 | NIST | |
| I | 2679.00 | NIST | |
| I | 2653.00 | NIST | |
| Tboil | 611.99 | K | Relay (... Calculated Property |
| Tc | 813.69 | K | Relay (... Calculated Property |
| Tfus | 282.01 | K | Relay (... Calculated Property |
| Vc | 0.924 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [685.02; 768.87] | J/mol×K | [733.74; 931.90] |
|
| Cp,gas | 685.02 | J/mol×K | 733.74 | Joback Calculated Property |
| Cp,gas | 701.30 | J/mol×K | 766.77 | Joback Calculated Property |
| Cp,gas | 716.62 | J/mol×K | 799.79 | Joback Calculated Property |
| Cp,gas | 731.01 | J/mol×K | 832.82 | Joback Calculated Property |
| Cp,gas | 744.50 | J/mol×K | 865.85 | Joback Calculated Property |
| Cp,gas | 757.11 | J/mol×K | 898.87 | Joback Calculated Property |
| Cp,gas | 768.87 | J/mol×K | 931.90 | Joback Calculated Property |
| η | [0.0000974; 0.0011220] | Pa×s | [422.37; 733.74] |
|
| η | 0.0011220 | Pa×s | 422.37 | Joback Calculated Property |
| η | 0.0005974 | Pa×s | 474.26 | Joback Calculated Property |
| η | 0.0003602 | Pa×s | 526.16 | Joback Calculated Property |
| η | 0.0002378 | Pa×s | 578.06 | Joback Calculated Property |
| η | 0.0001681 | Pa×s | 629.95 | Joback Calculated Property |
| η | 0.0001253 | Pa×s | 681.85 | Joback Calculated Property |
| η | 0.0000974 | Pa×s | 733.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Decyl 3-chlorobenzoate.
Sources
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