- InChI
- InChI=1S/C20H39ClO2/c1-20(22)23-19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-21/h2-19H2,1H3
- InChI Key
- IGTUQRZCHRPESB-UHFFFAOYSA-N
- Formula
- C20H39ClO2
- SMILES
- CC(=O)OCCCCCCCCCCCCCCCCCCCl
- Molecular Weight1
- 346.98
- Other Names
-
- 18-Chlorooctadecyl 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.
- Ip : 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 | 1.0102 | Relay (1.0) Calculated Property | |
| ΔfG° | -204.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -813.97 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 56.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 118.90 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.01 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.25 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.030 | Crippen Calculated Property | |
| McVol | 312.340 | ml/mol | McGowan Calculated Property |
| Pc | 995.13 | kPa | Joback Calculated Property |
| Inp | 2468.00 | NIST | |
| Ip | [3027.00; 3041.00] |
|
|
| Ip | 3027.00 | NIST | |
| Ip | 3041.00 | NIST | |
| Ip | 3027.00 | NIST | |
| Tboil | 608.55 | K | Relay (1.0) Calculated Property |
| Tc | 807.70 | K | Relay (1.0) Calculated Property |
| Tfus | 314.82 | K | Relay (1.0) Calculated Property |
| Vc | 1.213 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [459.50; 1067.53] | 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 | 2.30080e+01 | |||
| Coefficient B | 1.85582e+00 | |||
| Coefficient C | -9.90000e-04 | |||
| Coefficient D | 1.78700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 459.50 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 563.56 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 657.18 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 740.92 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 815.34 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 881.02 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 938.51 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 988.38 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1031.20 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1067.53 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0017942; 0.0001021] | Pa×s | [387.41; 649.04] |
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 | -1.34337e+01 | |||
| Coefficient B | 2.75468e+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. | 387.41 | |||
| Temperature range, max. | 649.04 | |||
| η | 0.0017942 | Pa×s | 387.41 | Calculated Property |
| η | 0.0010922 | Pa×s | 416.48 | Calculated Property |
| η | 0.0007094 | Pa×s | 445.55 | Calculated Property |
| η | 0.0004858 | Pa×s | 474.62 | Calculated Property |
| η | 0.0003475 | Pa×s | 503.69 | Calculated Property |
| η | 0.0002578 | Pa×s | 532.76 | Calculated Property |
| η | 0.0001973 | Pa×s | 561.83 | Calculated Property |
| η | 0.0001550 | Pa×s | 590.90 | Calculated Property |
| η | 0.0001246 | Pa×s | 619.97 | Calculated Property |
| η | 0.0001021 | Pa×s | 649.04 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Octadecanol, 18-chloro, acetate.
Sources
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