- InChI
- InChI=1S/C16H33Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-16H2,1H3
- InChI Key
- CLWAXFZCVYJLLM-UHFFFAOYSA-N
- Formula
- C16H33Cl
- SMILES
- CCCCCCCCCCCCCCCCCl
- Molecular Weight1
- 260.89
- CAS
- 4860-03-1
- Other Names
-
- 1-Chlorohexadecane
- CETYL CHLORIDE
- Hexadecyl chloride
- N-HEXADECYL CHLORIDE
- Palmityl chloride
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- 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).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 |
|---|---|---|---|
| ΔfG° | 71.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -389.31 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [91.80; 97.90] | kJ/mol |
|
| ΔvapH° | 91.80 | kJ/mol | NIST |
| ΔvapH° | 97.90 | kJ/mol | NIST |
| ΔvapH° | 96.40 ± 0.90 | kJ/mol | NIST |
| ΔvapH° | 91.80 ± 1.10 | kJ/mol | NIST |
| ΔvapH° | 91.80 ± 1.10 | kJ/mol | NIST |
| log10WS | -6.67 | Crippen Calculated Property | |
| logPoct/wat | 6.707 | Crippen Calculated Property | |
| McVol | 248.540 | ml/mol | McGowan Calculated Property |
| Pc | 1283.75 | kPa | Joback Calculated Property |
| Inp | [277.60; 1873.00] |
|
|
| Inp | 1861.00 | NIST | |
| Inp | 1873.00 | NIST | |
| Inp | 1861.00 | NIST | |
| Inp | 1871.00 | NIST | |
| Inp | 277.60 | NIST | |
| Inp | 1873.00 | NIST | |
| Inp | 277.60 | NIST | |
| Inp | 1871.00 | NIST | |
| I | [2078.00; 2104.00] |
|
|
| I | 2104.00 | NIST | |
| I | 2099.00 | NIST | |
| I | 2078.00 | NIST | |
| I | 2094.00 | NIST | |
| I | 2094.00 | NIST | |
| I | 2104.00 | NIST | |
| I | 2078.00 | NIST | |
| Tboil | [468.15; 595.20] | K |
|
| Tboil | 468.15 | K | KDB |
| Tboil | 595.20 | K | NIST |
| Tc | 766.68 | K | Joback Calculated Property |
| Tfus | 290.48 | K | KDB |
| Vc | 0.981 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [650.15; 749.92] | J/mol×K | [602.91; 766.68] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 660 680 700 720 740 600 650 700 750 | ||||
| Cp,gas | 650.15 | J/mol×K | 602.91 | Joback Calculated Property |
| Cp,gas | 668.61 | J/mol×K | 630.20 | Joback Calculated Property |
| Cp,gas | 686.30 | J/mol×K | 657.50 | Joback Calculated Property |
| Cp,gas | 703.26 | J/mol×K | 684.79 | Joback Calculated Property |
| Cp,gas | 719.50 | J/mol×K | 712.09 | Joback Calculated Property |
| Cp,gas | 735.05 | J/mol×K | 739.38 | Joback Calculated Property |
| Cp,gas | 749.92 | J/mol×K | 766.68 | Joback Calculated Property |
| η | [0.0001422; 0.0039733] | Pa×s | [300.00; 602.91] |
|
|
T(K) Dynamic viscosity (Pa×s) 0 5.00e-4 1.00e-3 1.50e-3 2.00e-3 2.50e-3 3.00e-3 3.50e-3 4.00e-3 300 400 500 600 | ||||
| η | 0.0039733 | Pa×s | 300.00 | Joback Calculated Property |
| η | 0.0015295 | Pa×s | 350.49 | Joback Calculated Property |
| η | 0.0007487 | Pa×s | 400.97 | Joback Calculated Property |
| η | 0.0004300 | Pa×s | 451.45 | Joback Calculated Property |
| η | 0.0002761 | Pa×s | 501.94 | Joback Calculated Property |
| η | 0.0001923 | Pa×s | 552.42 | Joback Calculated Property |
| η | 0.0001422 | Pa×s | 602.91 | Joback Calculated Property |
| ΔvapH | 73.30 | kJ/mol | 519.50 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 422.20 | K | 0.10 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [460.80; 626.77] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.59946e+01 | |||
| Coefficient B | -5.54330e+03 | |||
| Coefficient C | -1.07880e+02 | |||
| Temperature range, min. | 460.80 | |||
| Temperature range, max. | 626.77 | |||
|
T(K) Vapor pressure (kPa) 0 50 100 150 200 500 550 600 | ||||
| Pvap | 1.33 | kPa | 460.80 | Calculated Property |
| Pvap | 2.91 | kPa | 479.24 | Calculated Property |
| Pvap | 5.89 | kPa | 497.68 | Calculated Property |
| Pvap | 11.20 | kPa | 516.12 | Calculated Property |
| Pvap | 20.15 | kPa | 534.56 | Calculated Property |
| Pvap | 34.51 | kPa | 553.01 | Calculated Property |
| Pvap | 56.64 | kPa | 571.45 | Calculated Property |
| Pvap | 89.49 | kPa | 589.89 | Calculated Property |
| Pvap | 136.72 | kPa | 608.33 | Calculated Property |
| Pvap | 202.67 | kPa | 626.77 | Calculated Property |
| Pvap | [0.70; 104.19] | kPa | [438.15; 600.15] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 1.64572e+02 | |||
| Coefficient B | -1.67676e+04 | |||
| Coefficient C | -2.10675e+01 | |||
| Coefficient D | 7.73533e-06 | |||
| Temperature range, min. | 438.15 | |||
| Temperature range, max. | 600.15 | |||
|
T(K) Vapor pressure (kPa) 0 20 40 60 80 100 450 500 550 600 | ||||
| Pvap | 0.70 | kPa | 438.15 | Calculated Property |
| Pvap | 1.54 | kPa | 456.15 | Calculated Property |
| Pvap | 3.12 | kPa | 474.15 | Calculated Property |
| Pvap | 5.94 | kPa | 492.15 | Calculated Property |
| Pvap | 10.67 | kPa | 510.15 | Calculated Property |
| Pvap | 18.20 | kPa | 528.15 | Calculated Property |
| Pvap | 29.70 | kPa | 546.15 | Calculated Property |
| Pvap | 46.63 | kPa | 564.15 | Calculated Property |
| Pvap | 70.75 | kPa | 582.15 | Calculated Property |
| Pvap | 104.19 | kPa | 600.15 | Calculated Property |
Similar Compounds
Find more compounds similar to Hexadecane, 1-chloro-.
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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