Chemical Properties of Butane, 2-chloro-3-methyl- (CAS 631-65-2)

InChI

InChI=1S/C5H11Cl/c1-4(2)5(3)6/h4-5H,1-3H3

InChI Key

JMTRCXPSDMMAGM-UHFFFAOYSA-N

Formula

C5H11Cl

SMILES

CC(C)C(C)Cl

Molecular Weight¹

106.60

CAS

631-65-2

Other Names

• (+/-)-2-Chloro-3-methyl-butane
• 2-Chloro-3-methylbutane

• 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	0.2679		Relay (1.0) Calculated Property
ΔfG°	-25.59	kJ/mol	Joback Calculated Property
ΔfH°gas	-206.11	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	5.86	kJ/mol	Joback Calculated Property
ΔvapH°	35.57	kJ/mol	Relay (1.0) Calculated Property
IE	10.35	eV	Relay (1.0) Calculated Property
log10WS	-2.74		Relay (1.0) Calculated Property
logPoct/wat	2.270		Crippen Calculated Property
McVol	93.550	ml/mol	McGowan Calculated Property
Pc	3384.14	kPa	Joback Calculated Property
Inp	[662.00; 684.00]
Inp	662.00		NIST
Inp	668.00		NIST
Inp	672.00		NIST
Inp	684.00		NIST
Tboil	366.15 ± 1.00	K	NIST
Tc	553.94	K	Relay (1.0) Calculated Property
Tfus	182.54	K	Relay (1.0) Calculated Property
Vc	0.345	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[124.33; 286.63]	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			7.87000e+00
Coefficient B			4.97460e-01
Coefficient C			-2.75000e-04
Coefficient D			5.63000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	124.33	J/mol×K	273.00	Calculated Property
Cp,gas	151.93	J/mol×K	353.78	Calculated Property
Cp,gas	176.73	J/mol×K	434.56	Calculated Property
Cp,gas	198.90	J/mol×K	515.33	Calculated Property
Cp,gas	218.62	J/mol×K	596.11	Calculated Property
Cp,gas	236.06	J/mol×K	676.89	Calculated Property
Cp,gas	251.40	J/mol×K	757.67	Calculated Property
Cp,gas	264.82	J/mol×K	838.44	Calculated Property
Cp,gas	276.51	J/mol×K	919.22	Calculated Property
Cp,gas	286.63	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0167571; 0.0002323]	Pa×s	[146.03; 372.20]	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			-1.11300e+01
Coefficient B			1.02820e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			146.03
Temperature range, max.			372.20
η	0.0167571	Pa×s	146.03	Calculated Property
η	0.0059598	Pa×s	171.16	Calculated Property
η	0.0027620	Pa×s	196.29	Calculated Property
η	0.0015242	Pa×s	221.42	Calculated Property
η	0.0009494	Pa×s	246.55	Calculated Property
η	0.0006456	Pa×s	271.68	Calculated Property
η	0.0004686	Pa×s	296.81	Calculated Property
η	0.0003576	Pa×s	321.94	Calculated Property
η	0.0002837	Pa×s	347.07	Calculated Property
η	0.0002323	Pa×s	372.20	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[273.76; 388.27]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.54405e+01
Coefficient B			-3.49844e+03
Coefficient C			-4.28840e+01
Temperature range, min.			273.76
Temperature range, max.			388.27
Pvap	1.33	kPa	273.76	Calculated Property
Pvap	2.94	kPa	286.48	Calculated Property
Pvap	6.00	kPa	299.21	Calculated Property
Pvap	11.44	kPa	311.93	Calculated Property
Pvap	20.58	kPa	324.65	Calculated Property
Pvap	35.20	kPa	337.38	Calculated Property
Pvap	57.57	kPa	350.10	Calculated Property
Pvap	90.54	kPa	362.82	Calculated Property
Pvap	137.56	kPa	375.55	Calculated Property
Pvap	202.64	kPa	388.27	Calculated Property

Similar Compounds

Find more compounds similar to Butane, 2-chloro-3-methyl-.

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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