- InChI
- InChI=1S/C8H17Cl/c1-2-3-4-5-6-7-8-9/h2-8H2,1H3
- InChI Key
- CNDHHGUSRIZDSL-UHFFFAOYSA-N
- Formula
- C8H17Cl
- SMILES
- CCCCCCCCCl
- Molecular Weight1
- 148.67
- CAS
- 111-85-3
- Other Names
-
- 1-Chlorooctane
- 1-Octyl chloride
- CAPRYL CHLORIDE
- N-OCTYL CHLORIDE
- Octyl chloride
- 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).
- n0 : Refractive Index.
- ρl : Liquid Density (kg/m3).
- 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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Contents
- Physical Properties
- Temperature Dependent Properties
- Pressure Dependent Properties
- Datasets
- Correlations
- Similar Compounds
- Mixtures
- Sources
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°liquid | -5310.00 ± 1.80 | kJ/mol | NIST |
| ΔfG° | 4.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -238.90 ± 1.90 | kJ/mol | NIST |
| ΔfH°liquid | -291.30 ± 1.90 | kJ/mol | NIST |
| ΔfusH° | 20.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [51.40; 52.42] | kJ/mol |
|
| ΔvapH° | 52.42 | kJ/mol | NIST |
| ΔvapH° | 51.40 | kJ/mol | NIST |
| ΔvapH° | 52.40 ± 0.10 | kJ/mol | NIST |
| ΔvapH° | 52.42 ± 0.12 | kJ/mol | NIST |
| IE | [9.99; 10.10] | eV |
|
| IE | 9.99 | eV | NIST |
| IE | 10.10 ± 0.05 | eV | NIST |
| log10WS | -3.32 | Crippen Calculated Property | |
| logPoct/wat | 3.586 | Crippen Calculated Property | |
| McVol | 135.820 | ml/mol | McGowan Calculated Property |
| Pc | 2443.48 | kPa | Joback Calculated Property |
| Inp | [1043.80; 1066.00] |
|
|
| Inp | 1046.00 | NIST | |
| Inp | 1059.00 | NIST | |
| Inp | 1064.00 | NIST | |
| Inp | 1043.80 | NIST | |
| Inp | 1047.00 | NIST | |
| Inp | 1051.00 | NIST | |
| Inp | 1059.00 | NIST | |
| Inp | 1066.00 | NIST | |
| Inp | 1051.00 | NIST | |
| Inp | 1052.00 | NIST | |
| Inp | 1048.00 | NIST | |
| Inp | 1059.00 | NIST | |
| Inp | 1066.00 | NIST | |
| Inp | 1052.00 | NIST | |
| I | [1232.00; 1262.00] |
|
|
| I | 1247.00 | NIST | |
| I | Outlier 1232.00 | NIST | |
| I | 1242.00 | NIST | |
| I | 1251.00 | NIST | |
| I | 1257.00 | NIST | |
| I | 1260.00 | NIST | |
| I | 1262.00 | NIST | |
| I | 1262.00 | NIST | |
| I | 1257.00 | NIST | |
| Tboil | [451.00; 456.95] | K |
|
| Tboil | 456.95 | K | KDB |
| Tboil | 455.20 | K | NIST |
| Tboil | 456.95 ± 0.30 | K | NIST |
| Tboil | 451.00 ± 1.50 | K | NIST |
| Tc | 590.71 | K | Joback Calculated Property |
| Tfus | 209.84 | K | Joback Calculated Property |
| Vc | 0.532 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [262.83; 332.22] | J/mol×K | [419.87; 590.71] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 260 270 280 290 300 310 320 330 450 500 550 | ||||
| Cp,gas | 262.83 | J/mol×K | 419.87 | Joback Calculated Property |
| Cp,gas | 275.59 | J/mol×K | 448.34 | Joback Calculated Property |
| Cp,gas | 287.86 | J/mol×K | 476.82 | Joback Calculated Property |
| Cp,gas | 299.64 | J/mol×K | 505.29 | Joback Calculated Property |
| Cp,gas | 310.96 | J/mol×K | 533.76 | Joback Calculated Property |
| Cp,gas | 321.81 | J/mol×K | 562.24 | Joback Calculated Property |
| Cp,gas | 332.22 | J/mol×K | 590.71 | Joback Calculated Property |
| Cp,liquid | [269.76; 298.14] | J/mol×K | [284.15; 353.15] |
|
|
T(K) Liquid phase heat capacity (J/mol×K) 270 275 280 285 290 295 300 300 320 340 | ||||
| Cp,liquid | 269.76 | J/mol×K | 284.15 | Heat Ca... |
| Cp,liquid | 270.79 | J/mol×K | 286.65 | Heat Ca... |
| Cp,liquid | 271.83 | J/mol×K | 289.15 | Heat Ca... |
| Cp,liquid | 272.66 | J/mol×K | 291.65 | Heat Ca... |
| Cp,liquid | 273.66 | J/mol×K | 294.15 | Heat Ca... |
| Cp,liquid | 274.53 | J/mol×K | 296.65 | Heat Ca... |
| Cp,liquid | 274.70 | J/mol×K | 298.15 | NIST |
| Cp,liquid | 275.61 | J/mol×K | 299.15 | Heat Ca... |
| Cp,liquid | 276.52 | J/mol×K | 301.65 | Heat Ca... |
| Cp,liquid | 277.29 | J/mol×K | 304.15 | Heat Ca... |
| Cp,liquid | 278.37 | J/mol×K | 306.65 | Heat Ca... |
| Cp,liquid | 279.28 | J/mol×K | 309.15 | Heat Ca... |
| Cp,liquid | 280.50 | J/mol×K | 311.65 | Heat Ca... |
| Cp,liquid | 281.58 | J/mol×K | 314.15 | Heat Ca... |
| Cp,liquid | 282.47 | J/mol×K | 316.65 | Heat Ca... |
| Cp,liquid | 283.79 | J/mol×K | 319.15 | Heat Ca... |
| Cp,liquid | 284.92 | J/mol×K | 321.65 | Heat Ca... |
| Cp,liquid | 285.45 | J/mol×K | 324.15 | Heat Ca... |
| Cp,liquid | 286.81 | J/mol×K | 326.65 | Heat Ca... |
| Cp,liquid | 288.43 | J/mol×K | 329.15 | Heat Ca... |
| Cp,liquid | 289.95 | J/mol×K | 331.65 | Heat Ca... |
| Cp,liquid | 290.13 | J/mol×K | 334.15 | Heat Ca... |
| Cp,liquid | 291.34 | J/mol×K | 336.65 | Heat Ca... |
| Cp,liquid | 291.91 | J/mol×K | 339.15 | Heat Ca... |
| Cp,liquid | 293.56 | J/mol×K | 341.65 | Heat Ca... |
| Cp,liquid | 294.16 | J/mol×K | 344.15 | Heat Ca... |
| Cp,liquid | 294.82 | J/mol×K | 346.65 | Heat Ca... |
| Cp,liquid | 295.79 | J/mol×K | 349.15 | Heat Ca... |
| Cp,liquid | 297.21 | J/mol×K | 351.65 | Heat Ca... |
| Cp,liquid | 298.14 | J/mol×K | 353.15 | Heat Ca... |
| η | [0.0002789; 0.0052971] | Pa×s | [209.84; 419.87] |
|
|
T(K) Dynamic viscosity (Pa×s) 0 1.00e-3 2.00e-3 3.00e-3 4.00e-3 5.00e-3 250 300 350 400 | ||||
| η | 0.0052971 | Pa×s | 209.84 | Joback Calculated Property |
| η | 0.0022835 | Pa×s | 244.84 | Joback Calculated Property |
| η | 0.0012150 | Pa×s | 279.85 | Joback Calculated Property |
| η | 0.0007439 | Pa×s | 314.86 | Joback Calculated Property |
| η | 0.0005024 | Pa×s | 349.86 | Joback Calculated Property |
| η | 0.0003644 | Pa×s | 384.87 | Joback Calculated Property |
| η | 0.0002789 | Pa×s | 419.87 | Joback Calculated Property |
| ΔvapH | 50.30 | kJ/mol | 392.00 | NIST |
| n0 | 1.42820 | 298.15 | Densiti... | |
| ρl | [786.80; 905.50] | kg/m3 | [253.15; 393.15] |
|
|
T(K) Liquid Density (kg/m3) 780 800 820 840 860 880 900 250 300 350 | ||||
| ρl | 905.50 | kg/m3 | 253.15 | Density... |
| ρl | 897.10 | kg/m3 | 263.15 | Density... |
| ρl | 889.00 | kg/m3 | 273.15 | Density... |
| ρl | 880.60 | kg/m3 | 283.15 | Density... |
| ρl | 872.30 | kg/m3 | 293.15 | Density... |
| ρl | 868.98 | kg/m3 | 298.15 | Excess ... |
| ρl | 868.98 | kg/m3 | 298.15 | (Vapour... |
| ρl | 868.30 | kg/m3 | 298.15 | Density... |
| ρl | 847.40 | kg/m3 | 323.15 | Density... |
| ρl | 830.50 | kg/m3 | 343.15 | Density... |
| ρl | 813.20 | kg/m3 | 363.15 | Density... |
| ρl | 786.80 | kg/m3 | 393.15 | Density... |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 351.20 | K | 2.00 | NIST |
Datasets
Mass density, kg/m3
| Fixed | Measured | |
|---|---|---|
| Temperature, K - Liquid | Pressure, kPa - Liquid | Mass density, kg/m3 - Liquid |
| 288.15 | 100.00 | 877.3 |
| 288.15 | 2000.00 | 878.8 |
| 288.15 | 4000.00 | 880.2 |
| 288.15 | 6000.00 | 881.6 |
| 288.15 | 8000.00 | 883.0 |
| 288.15 | 10000.00 | 884.4 |
| 288.15 | 11900.00 | 885.8 |
| 288.15 | 13900.00 | 887.1 |
| 288.15 | 16000.00 | 888.4 |
| 288.15 | 18000.00 | 889.7 |
| 288.15 | 20100.00 | 891.2 |
| 298.15 | 100.00 | 868.8 |
| 298.15 | 2000.00 | 870.2 |
| 298.15 | 4100.00 | 871.8 |
| 298.15 | 6100.00 | 873.3 |
| 298.15 | 8100.00 | 874.8 |
| 298.15 | 10000.00 | 876.2 |
| 298.15 | 12100.00 | 877.8 |
| 298.15 | 14200.00 | 879.3 |
| 298.15 | 16300.00 | 880.7 |
| 298.15 | 18300.00 | 882.1 |
| 298.15 | 20200.00 | 883.4 |
| 308.15 | 100.00 | 861.4 |
| 308.15 | 2000.00 | 862.8 |
| 308.15 | 4000.00 | 864.4 |
| 308.15 | 6000.00 | 865.9 |
| 308.15 | 7900.00 | 867.5 |
| 308.15 | 10100.00 | 869.1 |
| 308.15 | 12000.00 | 870.5 |
| 308.15 | 14000.00 | 872.0 |
| 308.15 | 15900.00 | 873.3 |
| 308.15 | 18000.00 | 874.8 |
| 308.15 | 20000.00 | 876.5 |
| 318.15 | 100.00 | 852.9 |
| 318.15 | 2000.00 | 854.5 |
| 318.15 | 4000.00 | 856.2 |
| 318.15 | 6000.00 | 857.9 |
| 318.15 | 8000.00 | 859.5 |
| 318.15 | 10000.00 | 861.2 |
| 318.15 | 12000.00 | 862.8 |
| 318.15 | 14000.00 | 864.3 |
| 318.15 | 16000.00 | 865.8 |
| 318.15 | 18000.00 | 867.3 |
| 318.15 | 20100.00 | 868.9 |
| Reference | ||
| Fixed | Measured | |
|---|---|---|
| Temperature, K - Liquid | Pressure, kPa - Liquid | Mass density, kg/m3 - Liquid |
| 298.15 | 100.00 | 868.8 |
| Reference | ||
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [346.30; 476.61] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.60368e+01 | |||
| Coefficient B | -4.38150e+03 | |||
| Coefficient C | -6.80900e+01 | |||
| Temperature range, min. | 346.30 | |||
| Temperature range, max. | 476.61 | |||
|
T(K) Vapor pressure (kPa) 0 50 100 150 200 350 400 450 | ||||
| Pvap | 1.33 | kPa | 346.30 | Calculated Property |
| Pvap | 2.91 | kPa | 360.78 | Calculated Property |
| Pvap | 5.89 | kPa | 375.26 | Calculated Property |
| Pvap | 11.19 | kPa | 389.74 | Calculated Property |
| Pvap | 20.11 | kPa | 404.22 | Calculated Property |
| Pvap | 34.46 | kPa | 418.69 | Calculated Property |
| Pvap | 56.56 | kPa | 433.17 | Calculated Property |
| Pvap | 89.41 | kPa | 447.65 | Calculated Property |
| Pvap | 136.64 | kPa | 462.13 | Calculated Property |
| Pvap | 202.64 | kPa | 476.61 | Calculated Property |
| Pvap | [0.75; 102.47] | kPa | [327.15; 457.15] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 1.42325e+02 | |||
| Coefficient B | -1.14740e+04 | |||
| Coefficient C | -1.87950e+01 | |||
| Coefficient D | 1.20730e-05 | |||
| Temperature range, min. | 327.15 | |||
| Temperature range, max. | 457.15 | |||
|
T(K) Vapor pressure (kPa) 0 20 40 60 80 100 350 400 450 | ||||
| Pvap | 0.75 | kPa | 327.15 | Calculated Property |
| Pvap | 1.65 | kPa | 341.59 | Calculated Property |
| Pvap | 3.34 | kPa | 356.04 | Calculated Property |
| Pvap | 6.32 | kPa | 370.48 | Calculated Property |
| Pvap | 11.22 | kPa | 384.93 | Calculated Property |
| Pvap | 18.93 | kPa | 399.37 | Calculated Property |
| Pvap | 30.49 | kPa | 413.82 | Calculated Property |
| Pvap | 47.21 | kPa | 428.26 | Calculated Property |
| Pvap | 70.61 | kPa | 442.71 | Calculated Property |
| Pvap | 102.47 | kPa | 457.15 | Calculated Property |
Similar Compounds
Find more compounds similar to Octane, 1-chloro-.
Mixtures
- Octane, 1-chloro- + Acetic acid, butyl ester
- Octane, 1-chloro- + Formamide, N,N-dimethyl-
- Octane, 1-chloro- + N,N-Dimethylacetamide
- Octane, 1-chloro- + 2-Pyrrolidinone, 1-methyl-
- Octane, 1-chloro- + Octadecane
- Octane, 1-chloro- + Nonadecane
- Octane, 1-chloro- + Eicosane
- Tetracosane + Octane, 1-chloro-
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Crippen Method
- Densities, Excess Molar Volumes, Viscosities, and Refractive Indices of Binary Mixtures of n-Butyl Acetate with 1-Chloroalkanes (C4 C8) at 298.15 K
- (Vapour + liquid) equilibria and excess molar enthalpies for binary mixtures containing N,N-dialkylamides and 1-chloroalkanes
- Excess enthalpies and isothermal (vapour + liquid) equilibria of (1-methyl-2-pyrrolidone + 1-chloroalkane or +,?-dichloroalkane) mixtures
- Does Alkyl Chain Length Really Matter? Structure-Property Relationships in Thermochemistry of Ionic Liquids.
- Solubilities of Some Long-Chain n-Alkanes in Dipropyl Ether, Dibutyl Ether, 1-Chlorobutane, and 1-Chlorooctane as Functions of Temperature
- Heat Capacities of 1-chloroalkanes and 1-bromoalkanes within the temperature range from 284.15 K to 353.15 K. A group additivity and molecular connectivity analysis
- Densities and Isothermal Compressibilities at Pressures up to 20 MPa of the Systems N,N-Dimethylformamide or N,N-Dimethylacetamide + 1-Chloroalkane
- Density of Some 1-Chloroalkanes within the Temperature Range from (253.15 to 423.15) K
- Densities and Isothermal Compressibilities at Pressures up to 20 MPa of the Systems 1-Methyl-2-pyrrolidone + 1-Chloroalkane or + r,u-Dichloroalkane
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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