Chemical Properties of 2-Chloro-2-methylhexane (CAS 4398-65-6)

InChI

InChI=1S/C7H15Cl/c1-4-5-6-7(2,3)8/h4-6H2,1-3H3

InChI Key

KBOBQLJBYKKAPN-UHFFFAOYSA-N

Formula

C7H15Cl

SMILES

CCCCC(C)(C)Cl

Molecular Weight¹

134.65

CAS

4398-65-6

Other Names

• Hexane, 2-chloro-2-methyl

• 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).
• 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°	-1.03	kJ/mol	Joback Calculated Property
ΔfH°gas	-212.30	kJ/mol	Joback Calculated Property
ΔfusH°	10.67	kJ/mol	Joback Calculated Property
ΔvapH°	34.27	kJ/mol	Joback Calculated Property
log10WS	-3.02		Crippen Calculated Property
logPoct/wat	3.194		Crippen Calculated Property
McVol	121.730	ml/mol	McGowan Calculated Property
Pc	2746.90	kPa	Joback Calculated Property
Inp	[855.00; 885.00]
Inp	855.00		NIST
Inp	885.00		NIST
Inp	855.00		NIST
Inp	885.00		NIST
Inp	855.00		NIST
Tboil	393.76	K	Joback Calculated Property
Tc	576.83	K	Joback Calculated Property
Tfus	200.99	K	Joback Calculated Property
Vc	0.466	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[224.71; 293.88]	J/mol×K	[393.76; 576.83]
Cp,gas	224.71	J/mol×K	393.76	Joback Calculated Property
Cp,gas	237.80	J/mol×K	424.27	Joback Calculated Property
Cp,gas	250.23	J/mol×K	454.78	Joback Calculated Property
Cp,gas	262.03	J/mol×K	485.29	Joback Calculated Property
Cp,gas	273.22	J/mol×K	515.80	Joback Calculated Property
Cp,gas	283.83	J/mol×K	546.32	Joback Calculated Property
Cp,gas	293.88	J/mol×K	576.83	Joback Calculated Property
η	[0.0003185; 0.0092120]	Pa×s	[200.99; 393.76]
η	0.0092120	Pa×s	200.99	Joback Calculated Property
η	0.0035725	Pa×s	233.12	Joback Calculated Property
η	0.0017428	Pa×s	265.25	Joback Calculated Property
η	0.0009928	Pa×s	297.38	Joback Calculated Property
η	0.0006312	Pa×s	329.50	Joback Calculated Property
η	0.0004349	Pa×s	361.63	Joback Calculated Property
η	0.0003185	Pa×s	393.76	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[308.52; 455.12]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.39889e+01
Coefficient B			-3.46931e+03
Coefficient C			-5.53110e+01
Temperature range, min.			308.52
Temperature range, max.			455.12
Pvap	1.33	kPa	308.52	Calculated Property
Pvap	3.05	kPa	324.81	Calculated Property
Pvap	6.36	kPa	341.10	Calculated Property
Pvap	12.23	kPa	357.39	Calculated Property
Pvap	22.01	kPa	373.68	Calculated Property
Pvap	37.41	kPa	389.96	Calculated Property
Pvap	60.54	kPa	406.25	Calculated Property
Pvap	93.85	kPa	422.54	Calculated Property
Pvap	140.19	kPa	438.83	Calculated Property
Pvap	202.66	kPa	455.12	Calculated Property

Similar Compounds

Find more compounds similar to 2-Chloro-2-methylhexane.

Sources

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

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