Chemical Properties of n-Propyl chloride (CAS 540-54-5)

InChI

InChI=1S/C3H7Cl/c1-2-3-4/h2-3H2,1H3

InChI Key

SNMVRZFUUCLYTO-UHFFFAOYSA-N

Formula

C3H7Cl

SMILES

CCCCl

Molecular Weight¹

78.54

CAS

540-54-5

Other Names

• 1-chloropropane
• Chloropropane
• UN 1278
• n-C3H7Cl
• propane, 1-chloro-
• propyl chloride

• ω : Acentric Factor.
• Δ_cH°_gas : Standard gas enthalpy of combustion (kJ/mol).
• 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).
• μ : Dipole Moment (debye).
• 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_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).
• 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.
• γ : Surface Tension (N/m).
• T_boil : Normal Boiling Point Temperature (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	0.2350		KDB
ΔcH°gas	-2072.10 ± 0.79	kJ/mol	NIST
ΔcH°liquid	-2025.00 ± 8.00	kJ/mol	NIST
μ	2.00	debye	KDB
ΔfG°	-50.70	kJ/mol	KDB
ΔfH°gas	[-132.50; -130.20]	kJ/mol
ΔfH°gas	-130.20	kJ/mol	KDB
ΔfH°gas	-132.50 ± 0.92	kJ/mol	NIST
ΔfH°gas	-131.20 ± 0.84	kJ/mol	NIST
ΔfH°gas	-132.50	kJ/mol	NIST
ΔfusH°	7.72	kJ/mol	Joback Calculated Property
ΔvapH°	[28.50; 29.00]	kJ/mol
ΔvapH°	28.56	kJ/mol	NIST
ΔvapH°	29.00	kJ/mol	NIST
ΔvapH°	28.50 ± 0.21	kJ/mol	NIST
ΔvapH°	28.50 ± 0.20	kJ/mol	NIST
IE	[10.70; 10.88]	eV
IE	10.80 ± 0.10	eV	NIST
IE	10.79	eV	NIST
IE	Outlier 10.70 ± 0.05	eV	NIST
IE	10.82	eV	NIST
IE	10.78 ± 0.04	eV	NIST
IE	10.82 ± 0.03	eV	NIST
IE	10.88	eV	NIST
IE	10.88	eV	NIST
log10WS	[-1.47; -1.47]
log10WS	-1.47		Aq. Solubility Prediction
log10WS	-1.47		Estimated Solubility
logPoct/wat	1.635		Crippen Calculated Property
McVol	65.370	ml/mol	McGowan Calculated Property
NFPA Fire	3		KDB
NFPA Health	2		KDB
Pc	[4577.86; 4580.00]	kPa
Pc	4580.00	kPa	KDB
Pc	4577.86 ± 50.66	kPa	NIST
Inp	[511.00; 570.00]
Inp	524.00		NIST
Inp	526.90		NIST
Inp	518.00		NIST
Inp	521.00		NIST
Inp	522.00		NIST
Inp	524.00		NIST
Inp	535.00		NIST
Inp	535.00		NIST
Inp	528.77		NIST
Inp	528.79		NIST
Inp	529.00		NIST
Inp	540.00		NIST
Inp	540.00		NIST
Inp	538.00		NIST
Inp	549.00		NIST
Inp	542.00		NIST
Inp	542.00		NIST
Inp	544.00		NIST
Inp	540.00		NIST
Inp	511.00		NIST
Inp	534.00		NIST
Inp	531.00		NIST
Inp	531.00		NIST
Inp	531.00		NIST
Inp	533.00		NIST
Inp	532.00		NIST
Inp	532.00		NIST
Inp	533.00		NIST
Inp	Outlier 570.00		NIST
Inp	Outlier 570.00		NIST
Inp	542.10		NIST
Inp	533.10		NIST
Inp	540.00		NIST
Inp	542.00		NIST
Inp	511.00		NIST
I	[739.00; 740.00]
I	739.00		NIST
I	740.00		NIST
I	739.00		NIST
Tboil	[318.87; 321.00]	K
Tboil	319.60	K	Study of isobaric vapour liquid equilibrium of some cyclic ethers with 1-chloropropane: Experimental results and SAFT-VR modelling
Tboil	319.60	K	KDB
Tboil	319.80	K	NIST
Tboil	319.60	K	NIST
Tboil	Outlier 321.00 ± 2.00	K	NIST
Tboil	319.65 ± 0.20	K	NIST
Tboil	319.65 ± 0.20	K	NIST
Tboil	319.80 ± 0.50	K	NIST
Tboil	318.87 ± 0.20	K	NIST
Tboil	319.75 ± 0.15	K	NIST
Tboil	319.80 ± 0.50	K	NIST
Tboil	319.80 ± 0.50	K	NIST
Tboil	320.00 ± 2.00	K	NIST
Tboil	320.80 ± 0.50	K	NIST
Tc	[503.00; 503.20]	K
Tc	503.00	K	KDB
Tc	503.20 ± 0.30	K	NIST
Tfus	[150.20; 150.55]	K
Tfus	150.30	K	KDB
Tfus	150.55	K	Aq. Solubility Prediction
Tfus	150.20 ± 0.70	K	NIST
Vc	0.254	m3/kmol	KDB
Zc	0.2781600		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[89.44; 121.40]	J/mol×K	[305.67; 477.37]
Cp,gas	89.44	J/mol×K	305.67	Joback Calculated Property
Cp,gas	95.27	J/mol×K	334.29	Joback Calculated Property
Cp,gas	100.89	J/mol×K	362.90	Joback Calculated Property
Cp,gas	106.31	J/mol×K	391.52	Joback Calculated Property
Cp,gas	111.53	J/mol×K	420.14	Joback Calculated Property
Cp,gas	116.56	J/mol×K	448.75	Joback Calculated Property
Cp,gas	121.40	J/mol×K	477.37	Joback Calculated Property
Cp,liquid	[108.00; 135.00]	J/mol×K	[200.00; 314.15]
Cp,liquid	108.00	J/mol×K	200.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	110.00	J/mol×K	210.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	111.00	J/mol×K	220.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	113.00	J/mol×K	230.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	115.00	J/mol×K	240.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	117.00	J/mol×K	250.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	119.00	J/mol×K	260.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	122.00	J/mol×K	270.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	123.00	J/mol×K	273.15	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	125.00	J/mol×K	280.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	128.63	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	128.99	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	129.53	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	128.00	J/mol×K	290.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	130.10	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	130.47	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	130.95	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	130.50	J/mol×K	297.00	NIST
Cp,liquid	131.40	J/mol×K	298.00	NIST
Cp,liquid	132.20	J/mol×K	298.00	NIST
Cp,liquid	131.00	J/mol×K	298.15	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	131.33	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	132.00	J/mol×K	300.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	131.88	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	132.37	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	132.94	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	133.40	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	135.00	J/mol×K	310.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	133.92	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	134.38	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
η	[0.0002563; 0.0030571]	Pa×s	[153.49; 305.67]
η	0.0030571	Pa×s	153.49	Joback Calculated Property
η	0.0015089	Pa×s	178.85	Joback Calculated Property
η	0.0008875	Pa×s	204.22	Joback Calculated Property
η	0.0005870	Pa×s	229.58	Joback Calculated Property
η	0.0004215	Pa×s	254.94	Joback Calculated Property
η	0.0003214	Pa×s	280.31	Joback Calculated Property
η	0.0002563	Pa×s	305.67	Joback Calculated Property
ΔvapH	[27.18; 33.10]	kJ/mol	[262.00; 319.70]
ΔvapH	33.10	kJ/mol	262.00	NIST
ΔvapH	31.00	kJ/mol	284.00	NIST
ΔvapH	28.90 ± 0.84	kJ/mol	318.70	NIST
ΔvapH	27.18	kJ/mol	319.60	NIST
ΔvapH	27.24	kJ/mol	319.70	KDB
Pvap	45.85	kPa	298.15	Thermophysical Study of the n-Hexane or n-Heptane with 1- Chloropropane Systems
n0	[1.37673; 1.38800]		[293.15; 313.15]
n0	1.38800		293.15	Speed of Sound and Density of 1-Chloropropane in the Range of Temperatures 180-373 K and Pressures up to 196.1 MPa
n0	1.38560		298.15	Volumetric and refractive properties of binary mixtures containing 1,4-dioxane and chloroalkanes
n0	1.37673		313.15	Volumetric and refractive properties of binary mixtures containing 1,4-dioxane and chloroalkanes
ρl	[883.81; 891.00]	kg/m3	[293.00; 298.15]
ρl	891.00	kg/m3	293.00	KDB
ρl	883.81	kg/m3	298.15	High-pressure phase equilibrium in the {carbon dioxide (1) + 1-chloropropane (2)} binary system
γ	0.02	N/m	293.20	KDB

Datasets

Mass density, kg/m3

Fixed		Measured
Pressure, kPa - Liquid	Temperature, K - Liquid	Mass density, kg/m3 - Liquid
100.00	283.15	902.63
100.00	288.15	896.23
100.00	293.15	890.21
100.00	298.15	883.84
100.00	303.15	877.47
100.00	308.15	870.93
100.00	313.15	864.52
100.00	318.15	857.87
2000.00	283.15	904.69
2000.00	288.15	898.45
2000.00	293.15	892.48
2000.00	298.15	886.15
2000.00	303.15	879.88
2000.00	308.15	873.45
2000.00	313.15	867.21
2000.00	318.15	860.65
5000.00	283.15	907.93
5000.00	288.15	901.79
5000.00	293.15	895.94
5000.00	298.15	889.74
5000.00	303.15	883.66
5000.00	308.15	877.45
5000.00	313.15	871.28
5000.00	318.15	864.78
7000.00	283.15	909.98
7000.00	288.15	903.93
7000.00	293.15	898.21
7000.00	298.15	892.15
7000.00	303.15	886.15
7000.00	308.15	879.96
7000.00	313.15	873.89
7000.00	318.15	867.55
10000.00	283.15	913.08
10000.00	288.15	907.07
10000.00	293.15	901.51
10000.00	298.15	895.54
10000.00	303.15	889.67
10000.00	308.15	883.53
10000.00	313.15	877.67
10000.00	318.15	871.55
20000.00	283.15	922.59
20000.00	288.15	916.99
20000.00	293.15	911.64
20000.00	298.15	906.01
20000.00	303.15	900.59
20000.00	308.15	894.81
20000.00	313.15	889.31
20000.00	318.15	883.58
30000.00	283.15	931.43
30000.00	288.15	925.99
30000.00	293.15	920.91
30000.00	298.15	915.65
30000.00	303.15	910.36
30000.00	308.15	904.99
30000.00	313.15	899.78
30000.00	318.15	894.34
40000.00	283.15	939.52
40000.00	288.15	934.32
40000.00	293.15	929.44
40000.00	298.15	924.4
40000.00	303.15	919.39
40000.00	308.15	914.15
40000.00	313.15	909.27
40000.00	318.15	904.1
50000.00	283.15	947.07
50000.00	288.15	942.03
50000.00	293.15	937.36
50000.00	298.15	932.48
50000.00	303.15	927.7
50000.00	308.15	922.69
50000.00	313.15	918.01
50000.00	318.15	913.08
60000.00	283.15	954.12
60000.00	288.15	949.19
60000.00	293.15	944.77
60000.00	298.15	940.12
60000.00	303.15	935.41
60000.00	308.15	930.56
60000.00	313.15	926.13
60000.00	318.15	921.31
65000.00	283.15	957.51
65000.00	288.15	952.7
65000.00	293.15	948.3
65000.00	298.15	943.68
65000.00	303.15	939.08
65000.00	308.15	934.35
65000.00	313.15	929.93
65000.00	318.15	925.2
Reference

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 4484.46]	kPa	[231.80; 503.15]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.43244e+01
Coefficient B			-2.77486e+03
Coefficient C			-3.41110e+01
Temperature range, min.			231.80
Temperature range, max.			503.15
Pvap	1.33	kPa	231.80	Calculated Property
Pvap	8.55	kPa	261.95	Calculated Property
Pvap	35.47	kPa	292.10	Calculated Property
Pvap	109.30	kPa	322.25	Calculated Property
Pvap	272.15	kPa	352.40	Calculated Property
Pvap	578.67	kPa	382.55	Calculated Property
Pvap	1091.10	kPa	412.70	Calculated Property
Pvap	1873.56	kPa	442.85	Calculated Property
Pvap	2986.81	kPa	473.00	Calculated Property
Pvap	4484.46	kPa	503.15	Calculated Property
Pvap	[6.98e-05; 4546.62]	kPa	[150.35; 503.15]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			7.12803e+01
Coefficient B			-5.68990e+03
Coefficient C			-8.61530e+00
Coefficient D			8.07867e-06
Temperature range, min.			150.35
Temperature range, max.			503.15
Pvap	6.98e-05	kPa	150.35	Calculated Property
Pvap	0.03	kPa	189.55	Calculated Property
Pvap	1.03	kPa	228.75	Calculated Property
Pvap	11.69	kPa	267.95	Calculated Property
Pvap	65.04	kPa	307.15	Calculated Property
Pvap	231.30	kPa	346.35	Calculated Property
Pvap	615.26	kPa	385.55	Calculated Property
Pvap	1348.08	kPa	424.75	Calculated Property
Pvap	2589.43	kPa	463.95	Calculated Property
Pvap	4546.62	kPa	503.15	Calculated Property

Similar Compounds

Find more compounds similar to n-Propyl chloride.

Mixtures

• n-Propyl chloride + Tetrahydrofuran
• Tetrahydropyran + n-Propyl chloride
• n-Propyl chloride + 1,4-Dioxane
• n-Hexane + n-Propyl chloride
• n-Propyl chloride + Heptane
• Carbon dioxide + n-Propyl chloride
• 1,3-Dioxolane + n-Propyl chloride
• n-Propyl chloride + 1-Octadecanol
• n-Propyl chloride + 1-Eicosanol

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Study of isobaric vapour liquid equilibrium of some cyclic ethers with 1-chloropropane: Experimental results and SAFT-VR modelling
• Phase equilibrium and thermophysical properties of mixtures containing a cyclic ether and 1-chloropropane
• Volumetric and refractive properties of binary mixtures containing 1,4-dioxane and chloroalkanes
• High-pressure phase equilibrium in the {carbon dioxide (1) + 1-chloropropane (2)} binary system
• Thermophysical Study of the n-Hexane or n-Heptane with 1- Chloropropane Systems
• Speed of Sound and Density of 1-Chloropropane in the Range of Temperatures 180-373 K and Pressures up to 196.1 MPa
• 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 for Hydrocarbons in Fatty Alcohols Determined by Gas-Liquid Chromatography
• Volumetric Properties of Short-Chain Chloroalkanes
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure
• Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD

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