Chemical Properties of Pentane, 1-chloro- (CAS 543-59-9)

InChI

InChI=1S/C5H11Cl/c1-2-3-4-5-6/h2-5H2,1H3

InChI Key

SQCZQTSHSZLZIQ-UHFFFAOYSA-N

Formula

C5H11Cl

SMILES

CCCCCCl

Molecular Weight¹

106.59

CAS

543-59-9

Other Names

• 1-Chloropentane
• Amyl chloride
• N-AMYL CHLORIDE
• N-PENTYL CHLORIDE
• Pentyl chloride
• UN 1107

• ω : Acentric Factor.
• 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).
• ν : Kinematic viscosity (m²/s).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• NFPA Fire : NFPA Fire Rating.
• NFPA Health : NFPA Health Rating.
• 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.
• c_sound,fluid : Speed of sound in fluid (m/s).
• γ : Surface Tension (N/m).
• 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).
• Z_c : Critical Compressibility.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4370		KDB
ΔcH°liquid	[-3352.00; -3344.60]	kJ/mol
ΔcH°liquid	-3349.90 ± 1.20	kJ/mol	NIST
ΔcH°liquid	-3352.00 ± 3.00	kJ/mol	NIST
ΔcH°liquid	-3344.60	kJ/mol	NIST
ΔfG°	-20.71	kJ/mol	Joback Calculated Property
ΔfH°gas	-175.20 ± 1.30	kJ/mol	NIST
ΔfH°liquid	[-213.40; -212.00]	kJ/mol
ΔfH°liquid	-213.40 ± 1.30	kJ/mol	NIST
ΔfH°liquid	-212.00 ± 3.00	kJ/mol	NIST
ΔfusH°	12.90	kJ/mol	Joback Calculated Property
ΔvapH°	[38.20; 38.80]	kJ/mol
ΔvapH°	38.30	kJ/mol	NIST
ΔvapH°	Outlier 38.80	kJ/mol	NIST
ΔvapH°	38.21	kJ/mol	NIST
ΔvapH°	38.20	kJ/mol	NIST
ΔvapH°	38.20 ± 0.10	kJ/mol	NIST
ΔvapH°	38.24 ± 0.02	kJ/mol	NIST
IE	10.47	eV	NIST
log10WS	[-2.73; -2.73]
log10WS	-2.73		Aq. Solubility Prediction
log10WS	-2.73		Estimated Solubility
logPoct/wat	2.415		Crippen Calculated Property
McVol	93.550	ml/mol	McGowan Calculated Property
NFPA Fire	3		KDB
NFPA Health	1		KDB
Pc	3320.00	kPa	KDB
Inp	[722.00; 762.00]
Inp	742.20		NIST
Inp	741.70		NIST
Inp	742.00		NIST
Inp	762.00		NIST
Inp	732.20		NIST
Inp	Outlier 722.00		NIST
Inp	725.00		NIST
Inp	729.00		NIST
Inp	730.00		NIST
Inp	754.00		NIST
Inp	756.00		NIST
Inp	754.20		NIST
Inp	736.00		NIST
Inp	739.00		NIST
Inp	747.00		NIST
Inp	743.00		NIST
Inp	744.00		NIST
Inp	762.00		NIST
Inp	746.00		NIST
Inp	748.00		NIST
Inp	751.00		NIST
Inp	744.00		NIST
Inp	742.00		NIST
Inp	740.00		NIST
Inp	751.10		NIST
Inp	743.40		NIST
Inp	742.00		NIST
Inp	747.00		NIST
Inp	748.00		NIST
Inp	742.20		NIST
Inp	Outlier 722.00		NIST
Inp	756.00		NIST
I	[938.00; 953.00]
I	938.00		NIST
I	945.00		NIST
I	943.00		NIST
I	Outlier 953.00		NIST
I	946.00		NIST
I	941.00		NIST
I	945.00		NIST
I	945.00		NIST
I	938.00		NIST
Tboil	380.20	K	KDB
Tc	[552.00; 568.50]	K
Tc	552.00	K	KDB
Tc	568.50	K	NIST
Tfus	174.00	K	KDB
Vc	0.364	m3/kmol	KDB
Zc	0.2636690		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[151.15; 200.12]	J/mol×K	[351.23; 523.71]
Cp,gas	151.15	J/mol×K	351.23	Joback Calculated Property
Cp,gas	160.12	J/mol×K	379.98	Joback Calculated Property
Cp,gas	168.76	J/mol×K	408.72	Joback Calculated Property
Cp,gas	177.07	J/mol×K	437.47	Joback Calculated Property
Cp,gas	185.06	J/mol×K	466.22	Joback Calculated Property
Cp,gas	192.74	J/mol×K	494.97	Joback Calculated Property
Cp,gas	200.12	J/mol×K	523.71	Joback Calculated Property
Cp,liquid	[184.57; 204.24]	J/mol×K	[284.15; 353.15]
Cp,liquid	184.57	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	185.29	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	185.95	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	186.52	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	187.16	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	187.66	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	187.70	J/mol×K	298.15	NIST
Cp,liquid	188.46	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	189.19	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	189.81	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	190.32	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	190.99	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	191.89	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	192.65	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	193.22	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	194.09	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	194.69	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	195.06	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	196.14	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	196.99	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	197.64	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	198.46	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	199.23	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	199.92	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	200.41	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	201.19	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	201.73	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	202.54	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	203.57	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	204.24	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
η	[0.0002888; 0.0042937]	Pa×s	[176.03; 351.23]
η	0.0042937	Pa×s	176.03	Joback Calculated Property
η	0.0019882	Pa×s	205.23	Joback Calculated Property
η	0.0011153	Pa×s	234.43	Joback Calculated Property
η	0.0007111	Pa×s	263.63	Joback Calculated Property
η	0.0004960	Pa×s	292.83	Joback Calculated Property
η	0.0003693	Pa×s	322.03	Joback Calculated Property
η	0.0002888	Pa×s	351.23	Joback Calculated Property
ΔvapH	[33.15; 38.70]	kJ/mol	[303.00; 380.90]
ΔvapH	36.20	kJ/mol	303.00	NIST
ΔvapH	37.30	kJ/mol	313.00	NIST
ΔvapH	36.50	kJ/mol	328.00	NIST
ΔvapH	35.60	kJ/mol	343.00	NIST
ΔvapH	38.70	kJ/mol	349.00	NIST
ΔvapH	34.60	kJ/mol	358.00	NIST
ΔvapH	34.00	kJ/mol	363.00	NIST
ΔvapH	33.20	kJ/mol	378.00	NIST
ΔvapH	33.18	kJ/mol	380.20	KDB
ΔvapH	33.15	kJ/mol	380.90	NIST
ν	[0.0000005; 0.0000007]	m2/s	[283.15; 313.15]
ν	0.0000007	m2/s	283.15	Experimental and predicted viscosities of binary mixtures of cyclic ethers with 1-chloropentane or 1-chlorohexane at 283.15, 298.15, and 313.15K
ν	0.0000006	m2/s	298.15	Experimental and predicted viscosities of binary mixtures of cyclic ethers with 1-chloropentane or 1-chlorohexane at 283.15, 298.15, and 313.15K
ν	0.0000005	m2/s	313.15	Experimental and predicted viscosities of binary mixtures of cyclic ethers with 1-chloropentane or 1-chlorohexane at 283.15, 298.15, and 313.15K
Pvap	[4.05; 16.40]	kPa	[298.15; 328.15]
Pvap	4.05	kPa	298.15	Isothermal vapour-liquid equilibrium for cyclic ethers with 1-chloropentane
Pvap	8.45	kPa	313.15	Isothermal vapour-liquid equilibrium for cyclic ethers with 1-chloropentane
Pvap	16.40	kPa	328.15	Isothermal vapour-liquid equilibrium for cyclic ethers with 1-chloropentane
n0	[1.40970; 1.41015]		[298.15; 298.15]
n0	1.40970		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
n0	1.41015		298.15	Isothermal vapor liquid equilibria and excess Gibbs free energies in some binary nitroalkane + chloroalkane mixtures at temperatures from 298.15 K to 318.15 K
ρl	[809.10; 917.50]	kg/m3	[253.15; 363.15]
ρl	917.50	kg/m3	253.15	Density of Some 1-Chloroalkanes within the Temperature Range from (253.15 to 423.15) K
ρl	910.20	kg/m3	263.15	Density of Some 1-Chloroalkanes within the Temperature Range from (253.15 to 423.15) K
ρl	900.70	kg/m3	273.15	Density of Some 1-Chloroalkanes within the Temperature Range from (253.15 to 423.15) K
ρl	891.00	kg/m3	283.15	Density of Some 1-Chloroalkanes within the Temperature Range from (253.15 to 423.15) K
ρl	881.30	kg/m3	293.15	Density of Some 1-Chloroalkanes within the Temperature Range from (253.15 to 423.15) K
ρl	876.20	kg/m3	298.15	Density of Some 1-Chloroalkanes within the Temperature Range from (253.15 to 423.15) K
ρl	877.09	kg/m3	298.15	Volumetric Study for the Binary Nitromethane with Chloroalkane Mixtures at Temperatures in the Range (298.15 to 318.15) K
ρl	879.80	kg/m3	298.15	Volumetric and optical properties for some (2-butanone + chloroalkane) binary mixtures at T = 298.15 K
ρl	866.97	kg/m3	308.15	Volumetric Study for the Binary Nitromethane with Chloroalkane Mixtures at Temperatures in the Range (298.15 to 318.15) K
ρl	856.73	kg/m3	318.15	Volumetric Study for the Binary Nitromethane with Chloroalkane Mixtures at Temperatures in the Range (298.15 to 318.15) K
ρl	851.30	kg/m3	323.15	Density of Some 1-Chloroalkanes within the Temperature Range from (253.15 to 423.15) K
ρl	830.60	kg/m3	343.15	Density of Some 1-Chloroalkanes within the Temperature Range from (253.15 to 423.15) K
ρl	809.10	kg/m3	363.15	Density of Some 1-Chloroalkanes within the Temperature Range from (253.15 to 423.15) K
csound,fluid	[1085.84; 1164.24]	m/s	[298.15; 318.15]
csound,fluid	1164.24	m/s	298.15	Speeds of sound, isentropic compressibilities and refractive indices for some binary mixtures of nitromethane with chloroalkane at temperatures from 298.15 to 318.15 K. Comparison with theories
csound,fluid	1124.94	m/s	308.15	Speeds of sound, isentropic compressibilities and refractive indices for some binary mixtures of nitromethane with chloroalkane at temperatures from 298.15 to 318.15 K. Comparison with theories
csound,fluid	1085.84	m/s	318.15	Speeds of sound, isentropic compressibilities and refractive indices for some binary mixtures of nitromethane with chloroalkane at temperatures from 298.15 to 318.15 K. Comparison with theories
γ	[0.02; 0.03]	N/m	[283.15; 313.15]
γ	0.03	N/m	283.15	Surface and bulk behaviour of some (n-hexane + chloroalkane) mixtures
γ	0.03	N/m	288.15	Surface and bulk behaviour of some (n-hexane + chloroalkane) mixtures
γ	0.03	N/m	293.15	Surface and bulk behaviour of some (n-hexane + chloroalkane) mixtures
γ	0.02	N/m	298.15	Surface and bulk behaviour of some (n-hexane + chloroalkane) mixtures
γ	0.02	N/m	303.15	Surface and bulk behaviour of some (n-hexane + chloroalkane) mixtures
γ	0.02	N/m	308.15	Surface and bulk behaviour of some (n-hexane + chloroalkane) mixtures
γ	0.02	N/m	313.15	Surface and bulk behaviour of some (n-hexane + chloroalkane) mixtures

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[277.05; 406.59]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.46439e+01
Coefficient B			-3.45471e+03
Coefficient C			-3.64100e+01
Temperature range, min.			277.05
Temperature range, max.			406.59
Pvap	1.33	kPa	277.05	Calculated Property
Pvap	3.00	kPa	291.44	Calculated Property
Pvap	6.18	kPa	305.84	Calculated Property
Pvap	11.84	kPa	320.23	Calculated Property
Pvap	21.31	kPa	334.62	Calculated Property
Pvap	36.33	kPa	349.02	Calculated Property
Pvap	59.09	kPa	363.41	Calculated Property
Pvap	92.24	kPa	377.80	Calculated Property
Pvap	138.91	kPa	392.20	Calculated Property
Pvap	202.63	kPa	406.59	Calculated Property
Pvap	[3.00e-05; 4145.21]	kPa	[174.15; 588.00]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			7.39136e+01
Coefficient B			-6.80056e+03
Coefficient C			-8.81199e+00
Coefficient D			6.28593e-06
Temperature range, min.			174.15
Temperature range, max.			588.00
Pvap	3.00e-05	kPa	174.15	Calculated Property
Pvap	0.01	kPa	220.13	Calculated Property
Pvap	0.67	kPa	266.12	Calculated Property
Pvap	8.38	kPa	312.10	Calculated Property
Pvap	49.74	kPa	358.08	Calculated Property
Pvap	185.63	kPa	404.07	Calculated Property
Pvap	513.13	kPa	450.05	Calculated Property
Pvap	1161.54	kPa	496.03	Calculated Property
Pvap	2297.20	kPa	542.02	Calculated Property
Pvap	4145.21	kPa	588.00	Calculated Property

Similar Compounds

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

Mixtures

• Acetic acid, butyl ester + Pentane, 1-chloro-
• Pentane, 1-chloro- + Tetrahydrofuran
• Tetrahydropyran + Pentane, 1-chloro-
• 1,3-Dioxolane + Pentane, 1-chloro-
• Pentane, 1-chloro- + 1,4-Dioxane
• Pentane, 1-chloro- + Methane, nitro-
• Ethane, nitro- + Pentane, 1-chloro-
• n-Hexane + Pentane, 1-chloro-
• 2-Butanone + Pentane, 1-chloro-
• 1,8-Diaminooctane + Pentane, 1-chloro-
• Pentane, 1-chloro- + 1,10-Diaminodecane
• 1,12-Dodecanediamine + Pentane, 1-chloro-

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• 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
• Isothermal vapour-liquid equilibrium for cyclic ethers with 1-chloropentane
• Isothermal vapor liquid equilibria and excess Gibbs free energies in some binary nitroalkane + chloroalkane mixtures at temperatures from 298.15 K to 318.15 K
• Speeds of sound, isentropic compressibilities and refractive indices for some binary mixtures of nitromethane with chloroalkane at temperatures from 298.15 to 318.15 K. Comparison with theories
• Surface and bulk behaviour of some (n-hexane + chloroalkane) mixtures
• Volumetric and optical properties for some (2-butanone + chloroalkane) binary mixtures at T = 298.15 K
• Experimental and predicted viscosities of binary mixtures of cyclic ethers with 1-chloropentane or 1-chlorohexane at 283.15, 298.15, and 313.15K
• Does Alkyl Chain Length Really Matter? Structure-Property Relationships in Thermochemistry of Ionic Liquids.
• 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
• Activity Coefficients at Infinite Dilution by GLC in Alkanediamines as Stationary Phases
• Volumetric Study for the Binary Nitromethane with Chloroalkane Mixtures at Temperatures in the Range (298.15 to 318.15) K
• Density of Some 1-Chloroalkanes within the Temperature Range from (253.15 to 423.15) K
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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