Chemical Properties of 2,4-dichlorohexane (CAS ---)

InChI

InChI=1S/C6H12Cl2/c1-3-6(8)4-5(2)7/h5-6H,3-4H2,1-2H3

InChI Key

LHEKJUGTNGWYIA-UHFFFAOYSA-N

Formula

C6H12Cl2

SMILES

CCC(Cl)CC(C)Cl

Molecular Weight¹

155.07

CAS

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• 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).
• 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 : 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	0.3459		Relay (1.0) Calculated Property
ΔfG°	-29.10	kJ/mol	Joback Calculated Property
ΔfH°gas	-226.78	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	12.64	kJ/mol	Joback Calculated Property
ΔvapH°	48.92	kJ/mol	Relay (1.0) Calculated Property
IE	10.09	eV	Relay (1.0) Calculated Property
log10WS	-3.28		Relay (1.0) Calculated Property
logPoct/wat	3.021		Crippen Calculated Property
McVol	119.880	ml/mol	McGowan Calculated Property
Pc	2915.53	kPa	Joback Calculated Property
I	[1244.00; 1276.00]
I	1244.00		NIST
I	1276.00		NIST
Tboil	433.41	K	Relay (1.0) Calculated Property
Tc	628.10	K	Relay (1.0) Calculated Property
Tfus	203.87	K	Relay (1.0) Calculated Property
Vc	0.439	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[212.36; 270.03]	J/mol×K	[410.86; 599.57]
Cp,gas	212.36	J/mol×K	410.86	Joback Calculated Property
Cp,gas	223.15	J/mol×K	442.31	Joback Calculated Property
Cp,gas	233.45	J/mol×K	473.76	Joback Calculated Property
Cp,gas	243.27	J/mol×K	505.22	Joback Calculated Property
Cp,gas	252.63	J/mol×K	536.67	Joback Calculated Property
Cp,gas	261.55	J/mol×K	568.12	Joback Calculated Property
Cp,gas	270.03	J/mol×K	599.57	Joback Calculated Property
η	[0.0003037; 0.0130601]	Pa×s	[187.22; 410.86]
η	0.0130601	Pa×s	187.22	Joback Calculated Property
η	0.0041466	Pa×s	224.49	Joback Calculated Property
η	0.0018253	Pa×s	261.77	Joback Calculated Property
η	0.0009858	Pa×s	299.04	Joback Calculated Property
η	0.0006103	Pa×s	336.31	Joback Calculated Property
η	0.0004158	Pa×s	373.59	Joback Calculated Property
η	0.0003037	Pa×s	410.86	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[335.72; 475.50]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.50501e+01
Coefficient B			-4.00000e+03
Coefficient C			-6.47630e+01
Temperature range, min.			335.72
Temperature range, max.			475.50
Pvap	1.33	kPa	335.72	Calculated Property
Pvap	2.97	kPa	351.25	Calculated Property
Pvap	6.09	kPa	366.78	Calculated Property
Pvap	11.63	kPa	382.31	Calculated Property
Pvap	20.93	kPa	397.84	Calculated Property
Pvap	35.73	kPa	413.38	Calculated Property
Pvap	58.29	kPa	428.91	Calculated Property
Pvap	91.35	kPa	444.44	Calculated Property
Pvap	138.21	kPa	459.97	Calculated Property
Pvap	202.65	kPa	475.50	Calculated Property

Similar Compounds

Find more compounds similar to 2,4-dichlorohexane.

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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