- 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 |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [417.07; 964.35] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 2.48260e+01 | |||
| Coefficient B | 1.66582e+00 | |||
| Coefficient C | -8.81200e-04 | |||
| Coefficient D | 1.54900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 417.07 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 510.72 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 595.02 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 670.46 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 737.52 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 796.69 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 848.47 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 893.35 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 931.81 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 964.35 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0022736; 0.0001304] | Pa×s | [364.87; 614.65] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.31200e+01 | |||
| Coefficient B | 2.56636e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 364.87 | |||
| Temperature range, max. | 614.65 | |||
| η | 0.0022736 | Pa×s | 364.87 | Calculated Property |
| η | 0.0013829 | Pa×s | 392.62 | Calculated Property |
| η | 0.0008982 | Pa×s | 420.38 | Calculated Property |
| η | 0.0006154 | Pa×s | 448.13 | Calculated Property |
| η | 0.0004407 | Pa×s | 475.88 | Calculated Property |
| η | 0.0003274 | Pa×s | 503.64 | Calculated Property |
| η | 0.0002509 | Pa×s | 531.39 | Calculated Property |
| η | 0.0001974 | Pa×s | 559.15 | Calculated Property |
| η | 0.0001589 | Pa×s | 586.90 | Calculated Property |
| η | 0.0001304 | Pa×s | 614.65 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Hexadecanol, 16-chloro, acetate.
Sources
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