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

106.59

CAS

631-65-2

Other Names

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

• 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).
• 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
ΔfG°	-25.59	kJ/mol	Joback Calculated Property
ΔfH°gas	-172.83	kJ/mol	Joback Calculated Property
ΔfusH°	5.86	kJ/mol	Joback Calculated Property
ΔvapH°	30.33	kJ/mol	Joback Calculated Property
log10WS	-1.94		Crippen 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	531.42	K	Joback Calculated Property
Tfus	146.03	K	Joback Calculated Property
Vc	0.352	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[150.82; 203.02]	J/mol×K	[350.35; 531.42]
Cp,gas	150.82	J/mol×K	350.35	Joback Calculated Property
Cp,gas	160.45	J/mol×K	380.53	Joback Calculated Property
Cp,gas	169.69	J/mol×K	410.71	Joback Calculated Property
Cp,gas	178.56	J/mol×K	440.88	Joback Calculated Property
Cp,gas	187.07	J/mol×K	471.06	Joback Calculated Property
Cp,gas	195.21	J/mol×K	501.24	Joback Calculated Property
Cp,gas	203.02	J/mol×K	531.42	Joback Calculated Property
η	[0.0002760; 0.0167571]	Pa×s	[146.03; 350.35]
η	0.0167571	Pa×s	146.03	Joback Calculated Property
η	0.0044255	Pa×s	180.08	Joback Calculated Property
η	0.0017850	Pa×s	214.14	Joback Calculated Property
η	0.0009237	Pa×s	248.19	Joback Calculated Property
η	0.0005603	Pa×s	282.24	Joback Calculated Property
η	0.0003785	Pa×s	316.30	Joback Calculated Property
η	0.0002760	Pa×s	350.35	Joback Calculated Property
ΔvapH	35.90	kJ/mol	345.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[273.76; 388.27]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
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

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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