- InChI
- InChI=1S/C18H37Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-18H2,1H3
- InChI Key
- VUQPJRPDRDVQMN-UHFFFAOYSA-N
- Formula
- C18H37Cl
- SMILES
- CCCCCCCCCCCCCCCCCCCl
- Molecular Weight1
- 288.94
- CAS
- 3386-33-2
- Other Names
-
- 1-Chlorooctadecane
- Chlorooctadecane
- Octadecyl chloride
- n-Octadecyl chloride
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase 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).
- ΔfH°liquid : Liquid phase 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).
- 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).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- Ip : Polar retention indices.
- ΔvapS : Entropy of vaporization at a given temperature (J/mol×K).
- 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 |
|---|---|---|---|
| ω | 0.8390 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -11850.50 ± 2.80 | kJ/mol | NIST |
| ΔfG° | 88.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -446.00 ± 3.10 | kJ/mol | NIST |
| ΔfH°liquid | -544.20 ± 2.80 | kJ/mol | NIST |
| ΔfusH° | 46.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.80 | kJ/mol | NIST |
| IE | 10.26 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.11 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.487 | Crippen Calculated Property | |
| McVol | 276.720 | ml/mol | McGowan Calculated Property |
| Pc | 1123.81 | kPa | Joback Calculated Property |
| Inp | [346.70; 2079.00] |
|
|
| Inp | 346.70 | NIST | |
| Inp | 2069.80 | NIST | |
| Inp | 2079.00 | NIST | |
| Inp | 2070.00 | NIST | |
| Inp | 346.70 | NIST | |
| Inp | 2069.80 | NIST | |
| Inp | 2070.00 | NIST | |
| Inp | 2079.00 | NIST | |
| Ip | [2288.00; 2312.00] |
|
|
| Ip | 2312.00 | NIST | |
| Ip | 2307.00 | NIST | |
| Ip | 2306.00 | NIST | |
| Ip | 2288.00 | NIST | |
| Ip | 2294.00 | NIST | |
| Ip | 2294.00 | NIST | |
| Ip | 2312.00 | NIST | |
| Ip | 2288.00 | NIST | |
| Tboil | [292.65; 621.20] | K |
|
| Tboil | 292.65 | K | KDB |
| Tboil | 621.20 | K | NIST |
| Tc | 766.55 | K | Relay (1.0) Calculated Property |
| Tfus | [292.65; 301.75] | K |
|
| Tfus | 301.75 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 292.65 | K | KDB |
| Vc | 1.111 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,liquid | 606.80 | J/mol×K | 301.00 | NIST |
| ΔvapH | [74.20; 98.16] | kJ/mol | [298.15; 572.50] |
|
| ΔvapH | 98.16 | kJ/mol | 298.15 | NIST |
| ΔvapH | 96.90 | kJ/mol | 363.00 | NIST |
| ΔvapH | 93.40 | kJ/mol | 363.00 | NIST |
| ΔvapH | 88.40 | kJ/mol | 363.00 | NIST |
| ΔvapH | 86.70 | kJ/mol | 363.00 | NIST |
| ΔvapH | 74.20 | kJ/mol | 572.50 | NIST |
| ΔvapS | 329.22 | J/mol×K | 298.15 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [430.70; 472.20] | K | [0.10; 1.30] |
|
| Tboilr | 430.70 | K | 0.10 | NIST |
| Tboilr | 472.20 | K | 1.30 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [400.73; 956.24] | 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 | -5.83000e-01 | |||
| Coefficient B | 1.72062e+00 | |||
| Coefficient C | -9.75800e-04 | |||
| Coefficient D | 2.12000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 400.73 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 495.39 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 580.25 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 655.98 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 723.26 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 782.74 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 835.12 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 881.04 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 921.19 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 956.24 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0059288; 0.0001792] | Pa×s | [297.20; 569.08] |
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 | -1.24518e+01 | |||
| Coefficient B | 2.17664e+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. | 297.20 | |||
| Temperature range, max. | 569.08 | |||
| η | 0.0059288 | Pa×s | 297.20 | Calculated Property |
| η | 0.0030164 | Pa×s | 327.41 | Calculated Property |
| η | 0.0017203 | Pa×s | 357.62 | Calculated Property |
| η | 0.0010708 | Pa×s | 387.83 | Calculated Property |
| η | 0.0007138 | Pa×s | 418.04 | Calculated Property |
| η | 0.0005025 | Pa×s | 448.24 | Calculated Property |
| η | 0.0003698 | Pa×s | 478.45 | Calculated Property |
| η | 0.0002823 | Pa×s | 508.66 | Calculated Property |
| η | 0.0002221 | Pa×s | 538.87 | Calculated Property |
| η | 0.0001792 | Pa×s | 569.08 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [481.12; 692.17] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.40282e+01 | |||
| Coefficient B | -5.03151e+03 | |||
| Coefficient C | -1.14942e+02 | |||
| Temperature range, min. | 481.12 | |||
| Temperature range, max. | 692.17 | |||
| Pvap | 1.33 | kPa | 481.12 | Calculated Property |
| Pvap | 3.05 | kPa | 504.57 | Calculated Property |
| Pvap | 6.35 | kPa | 528.02 | Calculated Property |
| Pvap | 12.21 | kPa | 551.47 | Calculated Property |
| Pvap | 21.97 | kPa | 574.92 | Calculated Property |
| Pvap | 37.35 | kPa | 598.37 | Calculated Property |
| Pvap | 60.44 | kPa | 621.82 | Calculated Property |
| Pvap | 93.75 | kPa | 645.27 | Calculated Property |
| Pvap | 140.11 | kPa | 668.72 | Calculated Property |
| Pvap | 202.66 | kPa | 692.17 | Calculated Property |
| Pvap | [1.35; 271.55] | kPa | [472.15; 673.15] |
KDB Vapor Pressure Data
|
| Equation | ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.24085e+02 | |||
| Coefficient B | -1.52071e+04 | |||
| Coefficient C | -1.50336e+01 | |||
| Coefficient D | 4.43161e-06 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 472.15 | |||
| Temperature range, max. | 673.15 | |||
| Pvap | 1.35 | kPa | 472.15 | Calculated Property |
| Pvap | 3.17 | kPa | 494.48 | Calculated Property |
| Pvap | 6.82 | kPa | 516.82 | Calculated Property |
| Pvap | 13.55 | kPa | 539.15 | Calculated Property |
| Pvap | 25.21 | kPa | 561.48 | Calculated Property |
| Pvap | 44.27 | kPa | 583.82 | Calculated Property |
| Pvap | 73.95 | kPa | 606.15 | Calculated Property |
| Pvap | 118.29 | kPa | 628.48 | Calculated Property |
| Pvap | 182.20 | kPa | 650.82 | Calculated Property |
| Pvap | 271.55 | kPa | 673.15 | Calculated Property |
Similar Compounds
Find more compounds similar to Octadecane, 1-chloro-.
Sources
- KDB Vapor Pressure Data
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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