Chemical Properties of Octane, 1-chloro- (CAS 111-85-3)

Octane, 1-chloro-

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-Octyl chloride
  • 1-chlorooctane
  • Capryl chloride
  • n-octyl chloride
  • octyl chloride
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Contents

  1. Physical Properties
  2. Temperature Dependent Properties
  3. Pressure Dependent Properties
  4. Datasets
  5. Correlations
  6. Similar Compounds
  7. Mixtures
  8. Sources

Physical Properties

Property Value Unit Source
ω 0.4392 PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
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 Show Hide
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 Show Hide
IE 9.99 eV NIST
IE 10.10 ± 0.05 eV NIST
log10WS -4.73 Relay (1.0) Calculated Property
logPoct/wat 3.586 Crippen Calculated Property
McVol 135.820 ml/mol McGowan Calculated Property
Pc 2521.98 kPa PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Inp [1043.80; 1066.00]   Show Hide
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 1051.00 NIST
Inp 1052.00 NIST
Inp 1059.00 NIST
Inp 1066.00 NIST
Ip [1232.00; 1262.00]   Show Hide
Ip 1247.00 NIST
Ip Outlier 1232.00 NIST
Ip 1242.00 NIST
Ip 1251.00 NIST
Ip 1257.00 NIST
Ip 1260.00 NIST
Ip 1262.00 NIST
Ip 1257.00 NIST
Ip 1262.00 NIST
Tboil [451.00; 456.95] K Show Hide
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 [643.00; 646.30] K Show Hide
Tc 643.00 K IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 10 Compiled value
Tc 646.30 K PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tfus 215.15 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Vc 0.526 m3/kmol PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,liquid [269.76; 298.14] J/mol×K [284.15; 353.15] Show Hide
Cp,liquid 269.76 J/mol×K 284.15 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
Cp,liquid 270.79 J/mol×K 286.65 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
Cp,liquid 271.83 J/mol×K 289.15 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
Cp,liquid 272.66 J/mol×K 291.65 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
Cp,liquid 273.66 J/mol×K 294.15 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
Cp,liquid 274.53 J/mol×K 296.65 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
Cp,liquid 274.70 J/mol×K 298.15 NIST
Cp,liquid 275.61 J/mol×K 299.15 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
Cp,liquid 276.52 J/mol×K 301.65 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
Cp,liquid 277.29 J/mol×K 304.15 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
Cp,liquid 278.37 J/mol×K 306.65 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
Cp,liquid 279.28 J/mol×K 309.15 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
Cp,liquid 280.50 J/mol×K 311.65 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
Cp,liquid 281.58 J/mol×K 314.15 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
Cp,liquid 282.47 J/mol×K 316.65 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
Cp,liquid 283.79 J/mol×K 319.15 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
Cp,liquid 284.92 J/mol×K 321.65 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
Cp,liquid 285.45 J/mol×K 324.15 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
Cp,liquid 286.81 J/mol×K 326.65 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
Cp,liquid 288.43 J/mol×K 329.15 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
Cp,liquid 289.95 J/mol×K 331.65 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
Cp,liquid 290.13 J/mol×K 334.15 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
Cp,liquid 291.34 J/mol×K 336.65 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
Cp,liquid 291.91 J/mol×K 339.15 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
Cp,liquid 293.56 J/mol×K 341.65 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
Cp,liquid 294.16 J/mol×K 344.15 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
Cp,liquid 294.82 J/mol×K 346.65 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
Cp,liquid 295.79 J/mol×K 349.15 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
Cp,liquid 297.21 J/mol×K 351.65 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
Cp,liquid 298.14 J/mol×K 353.15 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
ΔvapH 50.30 kJ/mol 392.00 NIST
n0 1.42820 298.15 Densities, Excess Molar Volumes, Viscosities, and Refractive Indices of Binary Mixtures of n-Butyl Acetate with 1-Chloroalkanes (C4 C8) at 298.15 K
ρl [786.80; 905.50] kg/m3 [253.15; 393.15] Show Hide
ρl 905.50 kg/m3 253.15 Density of Some 1-Chloroalkanes within the Temperature Range from (253.15 to 423.15) K
ρl 897.10 kg/m3 263.15 Density of Some 1-Chloroalkanes within the Temperature Range from (253.15 to 423.15) K
ρl 889.00 kg/m3 273.15 Density of Some 1-Chloroalkanes within the Temperature Range from (253.15 to 423.15) K
ρl 880.60 kg/m3 283.15 Density of Some 1-Chloroalkanes within the Temperature Range from (253.15 to 423.15) K
ρl 872.30 kg/m3 293.15 Density of Some 1-Chloroalkanes within the Temperature Range from (253.15 to 423.15) K
ρl 868.98 kg/m3 298.15 (Vapour + liquid) equilibria and excess molar enthalpies for binary mixtures containing N,N-dialkylamides and 1-chloroalkanes
ρl 868.98 kg/m3 298.15 Excess enthalpies and isothermal (vapour + liquid) equilibria of (1-methyl-2-pyrrolidone + 1-chloroalkane or +,?-dichloroalkane) mixtures
ρl 868.30 kg/m3 298.15 Density of Some 1-Chloroalkanes within the Temperature Range from (253.15 to 423.15) K
ρl 847.40 kg/m3 323.15 Density of Some 1-Chloroalkanes within the Temperature Range from (253.15 to 423.15) K
ρl 830.50 kg/m3 343.15 Density of Some 1-Chloroalkanes within the Temperature Range from (253.15 to 423.15) K
ρl 813.20 kg/m3 363.15 Density of Some 1-Chloroalkanes within the Temperature Range from (253.15 to 423.15) K
ρl 786.80 kg/m3 393.15 Density of Some 1-Chloroalkanes within the Temperature Range from (253.15 to 423.15) K

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
Cp,gas [188.60; 440.33] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A8.50700e+00
Coefficient B7.70620e-01
Coefficient C-4.31800e-04
Coefficient D9.30000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 188.60 J/mol×K 273.00 Calculated Property
Cp,gas 231.21 J/mol×K 353.78 Calculated Property
Cp,gas 269.48 J/mol×K 434.56 Calculated Property
Cp,gas 303.69 J/mol×K 515.33 Calculated Property
Cp,gas 334.14 J/mol×K 596.11 Calculated Property
Cp,gas 361.13 J/mol×K 676.89 Calculated Property
Cp,gas 384.95 J/mol×K 757.67 Calculated Property
Cp,gas 405.89 J/mol×K 838.44 Calculated Property
Cp,gas 424.25 J/mol×K 919.22 Calculated Property
Cp,gas 440.33 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0045809; 0.0002273] Pa×s [215.15; 451.25] Joback Predicted correlation Show Hide
EquationY = exp(A + B/T + C·ln(T) + D·T^E)
Y is η in Pa×s, T in K
Coefficient A-1.11262e+01
Coefficient B1.23504e+03
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
CommentLiquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.215.15
Temperature range, max.451.25
η 0.0045809 Pa×s 215.15 Calculated Property
η 0.0024548 Pa×s 241.38 Calculated Property
η 0.0014866 Pa×s 267.62 Calculated Property
η 0.0009846 Pa×s 293.85 Calculated Property
η 0.0006977 Pa×s 320.09 Calculated Property
η 0.0005209 Pa×s 346.32 Calculated Property
η 0.0004052 Pa×s 372.55 Calculated Property
η 0.0003258 Pa×s 398.79 Calculated Property
η 0.0002691 Pa×s 425.02 Calculated Property
η 0.0002273 Pa×s 451.25 Calculated Property
Property Value Unit Temperature (K) Source
Pvap [1.33; 202.64] kPa [346.30; 476.61] The Yaws Handbook of Vapor Pressure Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.60368e+01
Coefficient B-4.38150e+03
Coefficient C-6.80900e+01
Temperature range, min.346.30
Temperature range, max.476.61
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 Vapor Pressure Data Show Hide
Equationln(Y) = A + B/T + C·ln(T) + D·T² + E/T²
Y is Pvap in kPa, T in K
Coefficient A1.42325e+02
Coefficient B-1.14740e+04
Coefficient C-1.87950e+01
Coefficient D1.20730e-05
Coefficient E0.00000e+00
Temperature range, min.327.15
Temperature range, max.457.15
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
Pvap [0.75; 102.21] kPa [327.30; 457.30] NIST Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.37418e+01
Coefficient B-3.38441e+03
Coefficient C-8.59930e+01
ReferenceKemme and Kreps, 1969
Temperature range, min.327.30
Temperature range, max.457.30
Pvap 0.75 kPa 327.30 Calculated Property
Pvap 1.66 kPa 341.74 Calculated Property
Pvap 3.37 kPa 356.19 Calculated Property
Pvap 6.37 kPa 370.63 Calculated Property
Pvap 11.31 kPa 385.08 Calculated Property
Pvap 19.05 kPa 399.52 Calculated Property
Pvap 30.65 kPa 413.97 Calculated Property
Pvap 47.37 kPa 428.41 Calculated Property
Pvap 70.67 kPa 442.86 Calculated Property
Pvap 102.21 kPa 457.30 Calculated Property
Property Value Unit Temperature (K) Source
γ [0.04; 0.01] N/m [215.15; 455.15] Jasper (1972), surface tension of pure liquid compounds Compiled value Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is γ in N/m, T in K
Coefficient A5.58897e-02
Coefficient B-9.61000e-05
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
Temperature range, min.215.15
Temperature range, max.455.15
γ 0.04 N/m 215.15 Calculated Property
γ 0.03 N/m 241.82 Calculated Property
γ 0.03 N/m 268.48 Calculated Property
γ 0.03 N/m 295.15 Calculated Property
γ 0.02 N/m 321.82 Calculated Property
γ 0.02 N/m 348.48 Calculated Property
γ 0.02 N/m 375.15 Calculated Property
γ 0.02 N/m 401.82 Calculated Property
γ 0.01 N/m 428.48 Calculated Property
γ 0.01 N/m 455.15 Calculated Property

Similar Compounds

1-Chlorotetracosane. Hexadecane, 1-chloro-. Octadecane, 1-chloro-. Decane, 1-chloro-. Nonane, 1-chloro-. Heptacosane, 1-chloro-. 1-Chloroeicosane. Tetradecane, 1-chloro-. Dodecane, 1-chloro-. 1-Chloroundecane. NONADECANE, 1-CHLORO-. Behenyl chloride. Heptane, 1-chloro-. Hexane, 1-chloro-. 1,8-Dichlorooctane.

Find more compounds similar to Octane, 1-chloro-.

Mixtures

Sources

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