- InChI
- InChI=1S/C18H35ClO2/c1-18(20)21-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-19/h2-17H2,1H3
- InChI Key
- DNZLCBIQHYSFQS-UHFFFAOYSA-N
- Formula
- C18H35ClO2
- SMILES
- CC(=O)OCCCCCCCCCCCCCCCCCl
- Molecular Weight1
- 318.92
- Other Names
-
- 16-Chlorohexadecyl 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 | 0.9400 | Relay (1.0) Calculated Property | |
| ΔfG° | -221.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -772.96 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 50.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 110.15 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.95 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.60 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.250 | Crippen Calculated Property | |
| McVol | 284.160 | ml/mol | McGowan Calculated Property |
| Pc | 1127.59 | kPa | Joback Calculated Property |
| Inp | [2267.00; 2271.00] |
|
|
| Inp | 2267.00 | NIST | |
| Inp | 2271.00 | NIST | |
| I | [2809.00; 2840.00] |
|
|
| I | 2809.00 | NIST | |
| I | 2826.00 | NIST | |
| I | 2840.00 | NIST | |
| Tboil | 595.52 | K | Relay (1.0) Calculated Property |
| Tc | 792.89 | K | Relay (1.0) Calculated Property |
| Tfus | 308.49 | K | Relay (1.0) Calculated Property |
| Vc | 1.100 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [816.89; 912.99] | J/mol×K | [707.09; 878.08] |
|
| Cp,gas | 816.89 | J/mol×K | 707.09 | Joback Calculated Property |
| Cp,gas | 835.03 | J/mol×K | 735.59 | Joback Calculated Property |
| Cp,gas | 852.29 | J/mol×K | 764.09 | Joback Calculated Property |
| Cp,gas | 868.69 | J/mol×K | 792.58 | Joback Calculated Property |
| Cp,gas | 884.26 | J/mol×K | 821.08 | Joback Calculated Property |
| Cp,gas | 899.02 | J/mol×K | 849.58 | Joback Calculated Property |
| Cp,gas | 912.99 | J/mol×K | 878.08 | Joback Calculated Property |
| η | [0.0000756; 0.0022736] | Pa×s | [364.87; 707.09] |
|
| η | 0.0022736 | Pa×s | 364.87 | Joback Calculated Property |
| η | 0.0008785 | Pa×s | 421.91 | Joback Calculated Property |
| η | 0.0004258 | Pa×s | 478.94 | Joback Calculated Property |
| η | 0.0002407 | Pa×s | 535.98 | Joback Calculated Property |
| η | 0.0001519 | Pa×s | 593.02 | Joback Calculated Property |
| η | 0.0001039 | Pa×s | 650.05 | Joback Calculated Property |
| η | 0.0000756 | Pa×s | 707.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Hexadecanol, 16-chloro, acetate.
Sources
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