Chemical Properties of Hexane, 2,2-dichloro- (CAS 42131-89-5)

InChI

InChI=1S/C6H12Cl2/c1-3-4-5-6(2,7)8/h3-5H2,1-2H3

InChI Key

SJDNOQZXJRUKDE-UHFFFAOYSA-N

Formula

C6H12Cl2

SMILES

CCCCC(C)(Cl)Cl

Molecular Weight¹

155.06

CAS

42131-89-5

Other Names

• 2,2-dichlorohexane

• 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.
• I : 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°	-21.38	kJ/mol	Joback Calculated Property
ΔfH°gas	-207.40	kJ/mol	Joback Calculated Property
ΔfusH°	12.28	kJ/mol	Joback Calculated Property
ΔvapH°	36.42	kJ/mol	Joback Calculated Property
log10WS	-3.25		Crippen Calculated Property
logPoct/wat	3.370		Crippen Calculated Property
McVol	119.880	ml/mol	McGowan Calculated Property
Pc	2925.00	kPa	Joback Calculated Property
Inp	[924.00; 925.00]
Inp	925.00		NIST
Inp	925.00		NIST
Inp	924.00		NIST
Inp	925.00		NIST
I	[1136.00; 1136.00]
I	1136.00		NIST
I	1136.00		NIST
Tboil	408.31	K	Joback Calculated Property
Tc	600.47	K	Joback Calculated Property
Tfus	219.64	K	Joback Calculated Property
Vc	0.459	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[214.29; 273.76]	J/mol×K	[408.31; 600.47]
Cp,gas	214.29	J/mol×K	408.31	Joback Calculated Property
Cp,gas	225.73	J/mol×K	440.34	Joback Calculated Property
Cp,gas	236.52	J/mol×K	472.36	Joback Calculated Property
Cp,gas	246.68	J/mol×K	504.39	Joback Calculated Property
Cp,gas	256.26	J/mol×K	536.42	Joback Calculated Property
Cp,gas	265.28	J/mol×K	568.45	Joback Calculated Property
Cp,gas	273.76	J/mol×K	600.47	Joback Calculated Property
η	[0.0003555; 0.0076476]	Pa×s	[219.64; 408.31]
η	0.0076476	Pa×s	219.64	Joback Calculated Property
η	0.0033292	Pa×s	251.09	Joback Calculated Property
η	0.0017440	Pa×s	282.53	Joback Calculated Property
η	0.0010399	Pa×s	313.98	Joback Calculated Property
η	0.0006813	Pa×s	345.42	Joback Calculated Property
η	0.0004790	Pa×s	376.87	Joback Calculated Property
η	0.0003555	Pa×s	408.31	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[337.72; 474.79]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.52901e+01
Coefficient B			-4.08460e+03
Coefficient C			-6.54580e+01
Temperature range, min.			337.72
Temperature range, max.			474.79
Pvap	1.33	kPa	337.72	Calculated Property
Pvap	2.95	kPa	352.95	Calculated Property
Pvap	6.03	kPa	368.18	Calculated Property
Pvap	11.51	kPa	383.41	Calculated Property
Pvap	20.71	kPa	398.64	Calculated Property
Pvap	35.40	kPa	413.87	Calculated Property
Pvap	57.83	kPa	429.10	Calculated Property
Pvap	90.84	kPa	444.33	Calculated Property
Pvap	137.79	kPa	459.56	Calculated Property
Pvap	202.63	kPa	474.79	Calculated Property

Similar Compounds

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

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.