Chemical Properties of Propane, 2-chloro-2-methyl- (CAS 507-20-0)

InChI

InChI=1S/C4H9Cl/c1-4(2,3)5/h1-3H3

InChI Key

NBRKLOOSMBRFMH-UHFFFAOYSA-N

Formula

C4H9Cl

SMILES

CC(C)(C)Cl

Molecular Weight¹

92.57

CAS

507-20-0

Other Names

• 1,1-dimethylethyl chloride
• 1-chloro-1,1-dimethylethane
• 2-chloro-2-methylpropane
• 2-chloroisobutane
• 2-methyl-2-chloropropane
• 2-methyl-2-propyl chloride
• NSC 6527
• Tertiary-butyl chloride
• chlorotrimethylmethane
• tert-C4H9Cl
• tert-butyl chloride
• trimethylchloromethane

• 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).
• 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_fH°_liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (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).
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• n₀ : Refractive Index.
• ρ_l : Liquid Density (kg/m³).
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (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	0.1900		KDB
ΔcH°liquid	-2675.20 ± 8.40	kJ/mol	NIST
μ	2.10	debye	KDB
ΔfG°	-64.14	kJ/mol	KDB
ΔfH°gas	-183.40	kJ/mol	KDB
ΔfH°liquid	-211.20 ± 2.30	kJ/mol	NIST
ΔfusH°	2.90	kJ/mol	Joback Calculated Property
ΔvapH°	[28.60; 29.19]	kJ/mol
ΔvapH°	29.19	kJ/mol	NIST
ΔvapH°	28.60	kJ/mol	NIST
ΔvapH°	29.00 ± 0.10	kJ/mol	NIST
IE	10.55	eV	Relay (1.0) Calculated Property
log10WS	-2.13		Relay (1.0) Calculated Property
logPoct/wat	2.024		Crippen Calculated Property
McVol	79.460	ml/mol	McGowan Calculated Property
Pc	3950.00	kPa	KDB
Tboil	[323.40; 325.20]	K
Tboil	323.88	K	Study of tetrahydropyran-chlorobutane VLE using the a o and o o approaches
Tboil	323.88	K	Vapor-Liquid Equilibrium and Volumetric Measurements for Binary Mixtures of 1,4-Dioxane with Isomeric Chlorobutanes
Tboil	324.00	K	KDB
Tboil	Outlier 325.20	K	NIST
Tboil	324.00	K	NIST
Tboil	324.00 ± 0.40	K	NIST
Tboil	324.00 ± 2.00	K	NIST
Tboil	324.15 ± 1.50	K	NIST
Tboil	323.85 ± 0.30	K	NIST
Tboil	323.40 ± 0.50	K	NIST
Tboil	324.00 ± 0.30	K	NIST
Tboil	323.70 ± 0.30	K	NIST
Tboil	323.85 ± 0.30	K	NIST
Tboil	323.90 ± 0.40	K	NIST
Tboil	324.80 ± 0.50	K	NIST
Tboil	324.80 ± 0.50	K	NIST
Tboil	324.15 ± 0.30	K	NIST
Tc	507.00	K	KDB
Tfus	[244.65; 250.30]	K
Tfus	247.80	K	KDB
Tfus	Outlier 250.30 ± 1.00	K	NIST
Tfus	246.15 ± 1.00	K	NIST
Tfus	246.10 ± 0.60	K	NIST
Tfus	246.05 ± 0.40	K	NIST
Tfus	248.20 ± 0.20	K	NIST
Tfus	247.80 ± 0.30	K	NIST
Tfus	246.10 ± 0.40	K	NIST
Tfus	244.65 ± 0.20	K	NIST
Ttriple	[184.80; 247.53]	K
Ttriple	184.80	K	Solid binary mixtures of neopentanol with tert-Butyl chloride and carbon tetrachloride studied by thermal, X-ray and dielectric techniques
Ttriple	247.53 ± 0.02	K	NIST
Vc	0.295	m3/kmol	KDB
Zc	0.2764230		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[118.81; 166.16]	J/mol×K	[325.12; 509.69]
Cp,gas	118.81	J/mol×K	325.12	Joback Calculated Property
Cp,gas	127.87	J/mol×K	355.88	Joback Calculated Property
Cp,gas	136.43	J/mol×K	386.64	Joback Calculated Property
Cp,gas	144.52	J/mol×K	417.41	Joback Calculated Property
Cp,gas	152.16	J/mol×K	448.17	Joback Calculated Property
Cp,gas	159.37	J/mol×K	478.93	Joback Calculated Property
Cp,gas	166.16	J/mol×K	509.69	Joback Calculated Property
Cp,liquid	[152.70; 172.80]	J/mol×K	[259.60; 298.15]
Cp,liquid	152.70	J/mol×K	259.60	NIST
Cp,liquid	172.80	J/mol×K	272.73	NIST
Cp,liquid	162.00	J/mol×K	298.15	NIST
η	[0.0003904; 0.0005980]	Pa×s	[283.15; 313.15]
η	0.0005980	Pa×s	283.15	Viscosities of Binary Mixtures Containing Isomeric Chlorobutanes and Diisopropylether: Experimental and Predicted Values
η	0.0005538	Pa×s	288.15	Viscosities of Binary Mixtures Containing Isomeric Chlorobutanes and Diisopropylether: Experimental and Predicted Values
η	0.0005135	Pa×s	293.15	Viscosities of Binary Mixtures Containing Isomeric Chlorobutanes and Diisopropylether: Experimental and Predicted Values
η	0.0004768	Pa×s	298.15	Viscosities of Binary Mixtures Containing Isomeric Chlorobutanes and Diisopropylether: Experimental and Predicted Values
η	0.0004751	Pa×s	298.15	Densities and Viscosities of the Binary Mixtures of Tetrahydrofuran with Isomeric Chlorobutanes at 298.15 K and 313.15 K
η	0.0004438	Pa×s	303.15	Viscosities of Binary Mixtures Containing Isomeric Chlorobutanes and Diisopropylether: Experimental and Predicted Values
η	0.0004196	Pa×s	308.15	Viscosities of Binary Mixtures Containing Isomeric Chlorobutanes and Diisopropylether: Experimental and Predicted Values
η	0.0003904	Pa×s	313.15	Viscosities of Binary Mixtures Containing Isomeric Chlorobutanes and Diisopropylether: Experimental and Predicted Values
η	0.0003907	Pa×s	313.15	Densities and Viscosities of the Binary Mixtures of Tetrahydrofuran with Isomeric Chlorobutanes at 298.15 K and 313.15 K
ΔfusH	[1.87; 5.88]	kJ/mol	[182.90; 248.40]
ΔfusH	1.87	kJ/mol	182.90	NIST
ΔfusH	5.88	kJ/mol	219.30	NIST
ΔfusH	1.89	kJ/mol	247.80	NIST
ΔfusH	1.97	kJ/mol	248.10	NIST
ΔfusH	1.97	kJ/mol	248.10	NIST
ΔfusH	1.99	kJ/mol	248.40	NIST
ΔvapH	[27.00; 32.30]	kJ/mol	[289.00; 324.00]
ΔvapH	29.10	kJ/mol	289.00	NIST
ΔvapH	32.30	kJ/mol	305.50	NIST
ΔvapH	27.80	kJ/mol	309.00	NIST
ΔvapH	27.00	kJ/mol	309.00	NIST
ΔvapH	27.55	kJ/mol	324.00	NIST
ν	[0.0000005; 0.0000007]	m2/s	[283.15; 313.15]
ν	0.0000007	m2/s	283.15	Experimental and Predicted Kinematic Viscosities for Alkane + Chloroalkane Mixtures
ν	0.0000006	m2/s	298.15	Thermophysical Properties of Mixtures of Tetrahydropyran with Chlorobutanes
ν	0.0000006	m2/s	298.15	Viscosities of Binary Mixtures of Isomeric Butanols or Isomeric Chlorobutanes with 2-Methyltetrahydrofuran
ν	0.0000006	m2/s	298.15	Experimental and Predicted Kinematic Viscosities for Alkane + Chloroalkane Mixtures
ν	0.0000005	m2/s	313.15	Thermophysical Properties of Mixtures of Tetrahydropyran with Chlorobutanes
ν	0.0000005	m2/s	313.15	Experimental and Predicted Kinematic Viscosities for Alkane + Chloroalkane Mixtures
Pvap	[26.42; 59.52]	kPa	[288.15; 308.15]
Pvap	26.42	kPa	288.15	Isothermal vapour-liquid equilibria and excess enthalpies for the binary mixtures containing an isomeric chlorobutane and diisopropyl ether
Pvap	26.42	kPa	288.15	Experimental and predicted vapour-liquid equilibrium of the binary mixtures n-heptane + chlorobutane isomers
Pvap	26.42	kPa	288.15	Experimental and predicted properties of the binary mixtures containing an isomeric chlorobutane and butyl ethyl ether
Pvap	26.42	kPa	288.15	Article Previous Article Next Article Articles ASAP Phase Equilibrium of Binary Mixtures of n-Hexane + Branched Chlorobutanes: Experimental Results and Group Contribution Predictions
Pvap	40.13	kPa	298.15	Isothermal vapour-liquid equilibria and excess enthalpies for the binary mixtures containing an isomeric chlorobutane and diisopropyl ether
Pvap	40.13	kPa	298.15	Experimental and predicted vapour-liquid equilibrium of the binary mixtures n-heptane + chlorobutane isomers
Pvap	40.13	kPa	298.15	Experimental and predicted properties of the binary mixtures containing an isomeric chlorobutane and butyl ethyl ether
Pvap	40.13	kPa	298.15	Article Previous Article Next Article Articles ASAP Phase Equilibrium of Binary Mixtures of n-Hexane + Branched Chlorobutanes: Experimental Results and Group Contribution Predictions
Pvap	59.52	kPa	308.15	Isothermal vapour-liquid equilibria and excess enthalpies for the binary mixtures containing an isomeric chlorobutane and diisopropyl ether
Pvap	59.52	kPa	308.15	Experimental and predicted vapour-liquid equilibrium of the binary mixtures n-heptane + chlorobutane isomers
Pvap	59.52	kPa	308.15	Experimental and predicted properties of the binary mixtures containing an isomeric chlorobutane and butyl ethyl ether
Pvap	59.52	kPa	308.15	Article Previous Article Next Article Articles ASAP Phase Equilibrium of Binary Mixtures of n-Hexane + Branched Chlorobutanes: Experimental Results and Group Contribution Predictions
n0	[1.37312; 1.39115]		[283.15; 313.15]
n0	1.39115		283.15	Volumetric, Acoustic, and Refractive Properties of Isomeric Chlorobutanes with Diisopropyl Ether
n0	1.38821		288.15	Volumetric, Acoustic, and Refractive Properties of Isomeric Chlorobutanes with Diisopropyl Ether
n0	1.38522		293.15	Volumetric, Acoustic, and Refractive Properties of Isomeric Chlorobutanes with Diisopropyl Ether
n0	1.38224		298.15	Volumetric and refractive properties of binary mixtures containing 1,4-dioxane and chloroalkanes
n0	1.38225		298.15	Volumetric, Acoustic, and Refractive Properties of Isomeric Chlorobutanes with Diisopropyl Ether
n0	1.37921		303.15	Volumetric, Acoustic, and Refractive Properties of Isomeric Chlorobutanes with Diisopropyl Ether
n0	1.37619		308.15	Volumetric, Acoustic, and Refractive Properties of Isomeric Chlorobutanes with Diisopropyl Ether
n0	1.37314		313.15	Volumetric and refractive properties of binary mixtures containing 1,4-dioxane and chloroalkanes
n0	1.37312		313.15	Volumetric, Acoustic, and Refractive Properties of Isomeric Chlorobutanes with Diisopropyl Ether
ρl	[835.67; 842.00]	kg/m3	[293.00; 298.15]
ρl	842.00	kg/m3	293.00	KDB
ρl	836.45	kg/m3	298.15	Surface Tension of Mixtures of Tetrahydrofuran or Tetrahydropyran with Isomeric Chlorobutanes
ρl	836.45	kg/m3	298.15	Surface study of mixtures containing cyclic ethers and isomeric chlorobutanes
ρl	835.67	kg/m3	298.15	Thermodynamic study of 2-methyl-tetrahydrofuran with isomeric chlorobutanes
ΔfusS	[7.95; 26.82]	J/mol×K	[182.90; 248.10]
ΔfusS	10.25	J/mol×K	182.90	NIST
ΔfusS	26.82	J/mol×K	219.30	NIST
ΔfusS	7.95	J/mol×K	248.10	NIST

Datasets

Mass density, kg/m3

Fixed		Measured
Pressure, kPa - Liquid	Temperature, K - Liquid	Mass density, kg/m3 - Liquid
100.00	283.15	855.04
100.00	288.15	849.49
100.00	293.15	842.98
100.00	298.15	836.8
100.00	303.15	830.82
100.00	308.15	824.5
100.00	313.15	818.16
100.00	318.15	812.44
100.00	323.15	805.63
2000.00	283.15	857.34
2000.00	288.15	851.9
2000.00	293.15	845.52
2000.00	298.15	839.47
2000.00	303.15	833.52
2000.00	308.15	827.85
2000.00	313.15	821.21
2000.00	318.15	815.53
2000.00	323.15	808.87
5000.00	283.15	860.89
5000.00	288.15	855.68
5000.00	293.15	849.29
5000.00	298.15	843.49
5000.00	303.15	837.7
5000.00	308.15	832.26
5000.00	313.15	825.78
5000.00	318.15	820.32
5000.00	323.15	813.81
7000.00	283.15	863.25
7000.00	288.15	858.07
7000.00	293.15	851.78
7000.00	298.15	846.04
7000.00	303.15	840.35
7000.00	308.15	835.02
7000.00	313.15	828.59
7000.00	318.15	823.22
7000.00	323.15	816.94
10000.00	283.15	866.58
10000.00	288.15	861.54
10000.00	293.15	855.47
10000.00	298.15	849.77
10000.00	303.15	844.23
10000.00	308.15	839.07
10000.00	313.15	832.78
10000.00	318.15	827.64
10000.00	323.15	821.51
20000.00	283.15	877.11
20000.00	288.15	872.26
20000.00	293.15	866.52
20000.00	298.15	861.25
20000.00	303.15	855.99
20000.00	308.15	851.28
20000.00	313.15	845.4
20000.00	318.15	840.68
20000.00	323.15	834.91
30000.00	283.15	886.39
30000.00	288.15	881.97
30000.00	293.15	876.42
30000.00	298.15	871.55
30000.00	303.15	866.5
30000.00	308.15	862.19
30000.00	313.15	856.61
30000.00	318.15	852.24
30000.00	323.15	846.65
40000.00	283.15	895.03
40000.00	288.15	890.79
40000.00	293.15	885.44
40000.00	298.15	880.72
40000.00	303.15	875.98
40000.00	308.15	871.88
40000.00	313.15	866.61
40000.00	318.15	862.53
40000.00	323.15	857.22
50000.00	283.15	903.08
50000.00	288.15	898.94
50000.00	293.15	893.59
50000.00	298.15	889.39
50000.00	303.15	884.66
50000.00	308.15	880.77
50000.00	313.15	875.72
50000.00	318.15	871.96
50000.00	323.15	866.77
60000.00	283.15	910.34
60000.00	288.15	906.48
60000.00	293.15	901.48
60000.00	298.15	897.22
60000.00	303.15	892.77
60000.00	308.15	889.06
60000.00	313.15	884.23
60000.00	318.15	880.5
60000.00	323.15	875.56
65000.00	283.15	913.66
65000.00	288.15	910.15
65000.00	293.15	905.24
65000.00	298.15	900.97
65000.00	303.15	896.61
65000.00	308.15	892.9
65000.00	313.15	888.28
65000.00	318.15	884.5
65000.00	323.15	879.7
Reference

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[232.72; 347.21]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.39693e+01
Coefficient B			-2.69943e+03
Coefficient C			-3.54210e+01
Temperature range, min.			232.72
Temperature range, max.			347.21
Pvap	1.33	kPa	232.72	Calculated Property
Pvap	3.05	kPa	245.44	Calculated Property
Pvap	6.36	kPa	258.16	Calculated Property
Pvap	12.24	kPa	270.88	Calculated Property
Pvap	22.03	kPa	283.60	Calculated Property
Pvap	37.44	kPa	296.33	Calculated Property
Pvap	60.58	kPa	309.05	Calculated Property
Pvap	93.89	kPa	321.77	Calculated Property
Pvap	140.21	kPa	334.49	Calculated Property
Pvap	202.64	kPa	347.21	Calculated Property
Pvap	[1.42; 3874.01]	kPa	[235.00; 507.00]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			7.61650e+01
Coefficient B			-5.86752e+03
Coefficient C			-9.39992e+00
Coefficient D			8.62699e-06
Temperature range, min.			235.00
Temperature range, max.			507.00
Pvap	1.42	kPa	235.00	Calculated Property
Pvap	8.95	kPa	265.22	Calculated Property
Pvap	36.12	kPa	295.44	Calculated Property
Pvap	107.37	kPa	325.67	Calculated Property
Pvap	257.18	kPa	355.89	Calculated Property
Pvap	527.20	kPa	386.11	Calculated Property
Pvap	964.43	kPa	416.33	Calculated Property
Pvap	1622.32	kPa	446.56	Calculated Property
Pvap	2564.90	kPa	476.78	Calculated Property
Pvap	3874.01	kPa	507.00	Calculated Property

Similar Compounds

Find more compounds similar to Propane, 2-chloro-2-methyl-.

Mixtures

• 1-Propanol, 2,2-dimethyl- + Propane, 2-chloro-2-methyl-
• 1,3-Dioxolane + Propane, 2-chloro-2-methyl-
• Propane, 2-chloro-2-methyl- + 1,4-Dioxane
• Tetrahydropyran + Propane, 2-chloro-2-methyl-
• n-Hexane + Propane, 2-chloro-2-methyl-
• Heptane + Propane, 2-chloro-2-methyl-
• Butane, 1-ethoxy- + Propane, 2-chloro-2-methyl-
• Propane, 2-chloro-2-methyl- + Methyl Alcohol
• Ethanol + Propane, 2-chloro-2-methyl-
• 1-Propanol + Propane, 2-chloro-2-methyl-
• 2-Propanol + Propane, 2-chloro-2-methyl-
• 1-Butanol + Propane, 2-chloro-2-methyl-
• 1-Pentanol + Propane, 2-chloro-2-methyl-
• Propane, 2-chloro-2-methyl- + 1-Hexanol
• 1,2-Ethanediol + Propane, 2-chloro-2-methyl-
• Propylene Glycol + Propane, 2-chloro-2-methyl-
• Propane, 2-chloro-2-methyl- + 2,3-Butanediol
• Ethanol, 2,2'-oxybis- + Propane, 2-chloro-2-methyl-
• Triethylene glycol + Propane, 2-chloro-2-methyl-
• Ethanol, 2-methoxy- + Propane, 2-chloro-2-methyl-

Find more mixtures with Propane, 2-chloro-2-methyl-.

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Thermophysical Properties of Mixtures of Tetrahydropyran with Chlorobutanes
• Surface Tension of Mixtures of Tetrahydrofuran or Tetrahydropyran with Isomeric Chlorobutanes
• Viscosities of Binary Mixtures Containing Isomeric Chlorobutanes and Diisopropylether: Experimental and Predicted Values
• Study of tetrahydropyran-chlorobutane VLE using the a o and o o approaches
• Isothermal vapour-liquid equilibria and excess enthalpies for the binary mixtures containing an isomeric chlorobutane and diisopropyl ether
• tert-Butyl chloride as a probe of the solvophobic effects
• Experimental and predicted vapour-liquid equilibrium of the binary mixtures n-heptane + chlorobutane isomers
• Volumetric and refractive properties of binary mixtures containing 1,4-dioxane and chloroalkanes
• Surface study of mixtures containing cyclic ethers and isomeric chlorobutanes
• Volumetric and acoustic behaviour of systems containing n-hexane, or n-heptane and isomeric chlorobutanes
• Experimental and predicted properties of the binary mixtures containing an isomeric chlorobutane and butyl ethyl ether
• Refractive indices and static permittivities of systems containing n-hexane or n-heptane and isomeric chlorobutanes
• Thermodynamic study of 2-methyl-tetrahydrofuran with isomeric chlorobutanes
• Excess properties from p.rho.T data for n-heptane + isomeric chlorobutane mixtures
• Solid binary mixtures of neopentanol with tert-Butyl chloride and carbon tetrachloride studied by thermal, X-ray and dielectric techniques
• Vapor-Liquid Equilibrium and Volumetric Measurements for Binary Mixtures of 1,4-Dioxane with Isomeric Chlorobutanes
• Viscosities of Binary Mixtures of Isomeric Butanols or Isomeric Chlorobutanes with 2-Methyltetrahydrofuran
• Densities and Viscosities of the Binary Mixtures of Tetrahydrofuran with Isomeric Chlorobutanes at 298.15 K and 313.15 K
• Volumetric, Acoustic, and Refractive Properties of Isomeric Chlorobutanes with Diisopropyl Ether
• Experimental and Predicted Kinematic Viscosities for Alkane + Chloroalkane Mixtures
• Volumetric Properties of Short-Chain Chloroalkanes
• Article Previous Article Next Article Articles ASAP Phase Equilibrium of Binary Mixtures of n-Hexane + Branched Chlorobutanes: Experimental Results and Group Contribution Predictions
• Molar Excess Volume of sec- and tert-Butyl Chloride with Aromatic Hydrocarbons at T = 298.15 K
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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