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

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

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• n₀ : Refractive Index.
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

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
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]
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]
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]
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]
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
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
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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