Chemical Properties of Butane, 2,2-dichloro- (CAS 4279-22-5)

InChI

InChI=1S/C4H8Cl2/c1-3-4(2,5)6/h3H2,1-2H3

InChI Key

BSRTYNDWQXVCKR-UHFFFAOYSA-N

Formula

C4H8Cl2

SMILES

CCC(C)(Cl)Cl

Molecular Weight¹

127.01

CAS

4279-22-5

Other Names

• 2,2-Dichlorobutane

• ω : Acentric Factor.
• C_p,gas : Ideal gas 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_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).
• I_np : Non-polar retention indices.
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.2303		Relay (1.0) Calculated Property
ΔfG°	-38.22	kJ/mol	Joback Calculated Property
ΔfH°gas	-190.46	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	7.10	kJ/mol	Joback Calculated Property
ΔvapH°	[33.70; 36.70]	kJ/mol
ΔvapH°	36.30 ± 0.10	kJ/mol	NIST
ΔvapH°	36.70	kJ/mol	NIST
ΔvapH°	33.70 ± 0.60	kJ/mol	NIST
IE	10.46	eV	Relay (1.0) Calculated Property
log10WS	-2.64		Relay (1.0) Calculated Property
logPoct/wat	2.590		Crippen Calculated Property
McVol	91.700	ml/mol	McGowan Calculated Property
Pc	3642.13	kPa	Joback Calculated Property
Inp	[724.00; 738.00]
Inp	738.00		NIST
Inp	724.00		NIST
Inp	724.00		NIST
Inp	724.00		NIST
Tboil	[374.00; 377.20]	K
Tboil	377.20	K	NIST
Tboil	374.00 ± 4.00	K	NIST
Tboil	376.15 ± 0.50	K	NIST
Tboil	376.00 ± 4.00	K	NIST
Tc	568.32	K	Relay (1.0) Calculated Property
Tfus	187.61	K	Relay (1.0) Calculated Property
Vc	0.338	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[115.69; 243.70]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			5.61000e-01
Coefficient B			5.23240e-01
Coefficient C			-4.06400e-04
Coefficient D			1.26300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	115.69	J/mol×K	273.00	Calculated Property
Cp,gas	140.40	J/mol×K	353.78	Calculated Property
Cp,gas	161.56	J/mol×K	434.56	Calculated Property
Cp,gas	179.56	J/mol×K	515.33	Calculated Property
Cp,gas	194.81	J/mol×K	596.11	Calculated Property
Cp,gas	207.70	J/mol×K	676.89	Calculated Property
Cp,gas	218.64	J/mol×K	757.67	Calculated Property
Cp,gas	228.02	J/mol×K	838.44	Calculated Property
Cp,gas	236.24	J/mol×K	919.22	Calculated Property
Cp,gas	243.70	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0076660; 0.0003156]	Pa×s	[197.10; 390.30]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.13157e+01
Coefficient B			1.27026e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			197.10
Temperature range, max.			390.30
η	0.0076660	Pa×s	197.10	Calculated Property
η	0.0040707	Pa×s	218.57	Calculated Property
η	0.0024207	Pa×s	240.03	Calculated Property
η	0.0015677	Pa×s	261.50	Calculated Property
η	0.0010845	Pa×s	282.97	Calculated Property
η	0.0007902	Pa×s	304.43	Calculated Property
η	0.0006003	Pa×s	325.90	Calculated Property
η	0.0004718	Pa×s	347.37	Calculated Property
η	0.0003814	Pa×s	368.83	Calculated Property
η	0.0003156	Pa×s	390.30	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[273.56; 403.50]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.38948e+01
Coefficient B			-3.02068e+03
Coefficient C			-5.15700e+01
Temperature range, min.			273.56
Temperature range, max.			403.50
Pvap	1.33	kPa	273.56	Calculated Property
Pvap	3.06	kPa	288.00	Calculated Property
Pvap	6.38	kPa	302.44	Calculated Property
Pvap	12.29	kPa	316.87	Calculated Property
Pvap	22.12	kPa	331.31	Calculated Property
Pvap	37.58	kPa	345.75	Calculated Property
Pvap	60.76	kPa	360.19	Calculated Property
Pvap	94.10	kPa	374.62	Calculated Property
Pvap	140.39	kPa	389.06	Calculated Property
Pvap	202.67	kPa	403.50	Calculated Property

Similar Compounds

Find more compounds similar to Butane, 2,2-dichloro-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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