- InChI
- InChI=1S/C14H27ClO2/c1-14(16)17-13-11-9-7-5-3-2-4-6-8-10-12-15/h2-13H2,1H3
- InChI Key
- RQEURDOLMGSSEM-UHFFFAOYSA-N
- Formula
- C14H27ClO2
- SMILES
- CC(=O)OCCCCCCCCCCCCCl
- Molecular Weight1
- 262.82
- Other Names
-
- 12-Chlorododecyl acetate
- 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 | 0.7992 | Relay (1.0) Calculated Property | |
| ΔfG° | -255.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -689.55 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.50 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.86 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.22 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.689 | Crippen Calculated Property | |
| McVol | 227.800 | ml/mol | McGowan Calculated Property |
| Pc | 1486.14 | kPa | Joback Calculated Property |
| Inp | [1859.00; 1869.00] |
|
|
| Inp | 1859.00 | NIST | |
| Inp | 1865.00 | NIST | |
| Inp | 1868.00 | NIST | |
| Inp | 1869.00 | NIST | |
| Inp | 1859.00 | NIST | |
| I | [2390.00; 2429.00] |
|
|
| I | 2390.00 | NIST | |
| I | 2407.00 | NIST | |
| I | 2416.00 | NIST | |
| I | 2429.00 | NIST | |
| I | 2390.00 | NIST | |
| Tboil | 567.21 | K | Relay (1.0) Calculated Property |
| Tc | 758.41 | K | Relay (1.0) Calculated Property |
| Tfus | 290.12 | K | Relay (1.0) Calculated Property |
| Vc | 0.875 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [593.55; 681.18] | J/mol×K | [615.57; 785.85] |
|
| Cp,gas | 593.55 | J/mol×K | 615.57 | Joback Calculated Property |
| Cp,gas | 609.94 | J/mol×K | 643.95 | Joback Calculated Property |
| Cp,gas | 625.60 | J/mol×K | 672.33 | Joback Calculated Property |
| Cp,gas | 640.54 | J/mol×K | 700.71 | Joback Calculated Property |
| Cp,gas | 654.77 | J/mol×K | 729.09 | Joback Calculated Property |
| Cp,gas | 668.32 | J/mol×K | 757.47 | Joback Calculated Property |
| Cp,gas | 681.18 | J/mol×K | 785.85 | Joback Calculated Property |
| η | [0.0001284; 0.0034473] | Pa×s | [319.79; 615.57] |
|
| η | 0.0034473 | Pa×s | 319.79 | Joback Calculated Property |
| η | 0.0013813 | Pa×s | 369.09 | Joback Calculated Property |
| η | 0.0006866 | Pa×s | 418.38 | Joback Calculated Property |
| η | 0.0003955 | Pa×s | 467.68 | Joback Calculated Property |
| η | 0.0002531 | Pa×s | 516.98 | Joback Calculated Property |
| η | 0.0001750 | Pa×s | 566.27 | Joback Calculated Property |
| η | 0.0001284 | Pa×s | 615.57 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Dodecanol, 12-chloro, acetate.
Sources
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