Chemical Properties of 1,3-Dichlorohexane (CAS 56375-88-3)

InChI

InChI=1S/C6H12Cl2/c1-2-3-6(8)4-5-7/h6H,2-5H2,1H3

InChI Key

YMVCUGKJZXZKSG-UHFFFAOYSA-N

Formula

C6H12Cl2

SMILES

CCCC(Cl)CCCl

Molecular Weight¹

155.07

CAS

56375-88-3

Other Names

• Hexane, 1,3-dichloro

• 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_np : Non-polar retention indices.
• I_p : 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	0.3674		Relay (1.0) Calculated Property
ΔfG°	-26.66	kJ/mol	Joback Calculated Property
ΔfH°gas	-199.13	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	16.17	kJ/mol	Joback Calculated Property
ΔvapH°	50.44	kJ/mol	Relay (1.0) Calculated Property
IE	10.21	eV	Relay (1.0) Calculated Property
log10WS	-3.25		Relay (1.0) Calculated Property
logPoct/wat	3.023		Crippen Calculated Property
McVol	119.880	ml/mol	McGowan Calculated Property
Pc	2890.51	kPa	Joback Calculated Property
Inp	[1028.00; 1028.00]
Inp	1028.00		NIST
Inp	1028.00		NIST
Inp	1028.00		NIST
Ip	1347.00		NIST
Tboil	439.69	K	Relay (1.0) Calculated Property
Tc	638.86	K	Relay (1.0) Calculated Property
Tfus	191.29	K	Relay (1.0) Calculated Property
Vc	0.437	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[159.26; 345.95]	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			2.15340e+01
Coefficient B			5.93320e-01
Coefficient C			-3.46600e-04
Coefficient D			7.77000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	159.26	J/mol×K	273.00	Calculated Property
Cp,gas	191.50	J/mol×K	353.78	Calculated Property
Cp,gas	220.29	J/mol×K	434.56	Calculated Property
Cp,gas	245.88	J/mol×K	515.33	Calculated Property
Cp,gas	268.51	J/mol×K	596.11	Calculated Property
Cp,gas	288.44	J/mol×K	676.89	Calculated Property
Cp,gas	305.90	J/mol×K	757.67	Calculated Property
Cp,gas	321.14	J/mol×K	838.44	Calculated Property
Cp,gas	334.41	J/mol×K	919.22	Calculated Property
Cp,gas	345.95	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0074186; 0.0003029]	Pa×s	[202.22; 416.96]	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			-1.11141e+01
Coefficient B			1.25586e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			202.22
Temperature range, max.			416.96
η	0.0074186	Pa×s	202.22	Calculated Property
η	0.0038519	Pa×s	226.08	Calculated Property
η	0.0022666	Pa×s	249.94	Calculated Property
η	0.0014629	Pa×s	273.80	Calculated Property
η	0.0010128	Pa×s	297.66	Calculated Property
η	0.0007405	Pa×s	321.52	Calculated Property
η	0.0005654	Pa×s	345.38	Calculated Property
η	0.0004470	Pa×s	369.24	Calculated Property
η	0.0003636	Pa×s	393.10	Calculated Property
η	0.0003029	Pa×s	416.96	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[343.32; 472.88]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.60107e+01
Coefficient B			-4.33826e+03
Coefficient C			-6.74040e+01
Temperature range, min.			343.32
Temperature range, max.			472.88
Pvap	1.33	kPa	343.32	Calculated Property
Pvap	2.91	kPa	357.72	Calculated Property
Pvap	5.89	kPa	372.11	Calculated Property
Pvap	11.20	kPa	386.51	Calculated Property
Pvap	20.13	kPa	400.90	Calculated Property
Pvap	34.49	kPa	415.30	Calculated Property
Pvap	56.61	kPa	429.69	Calculated Property
Pvap	89.46	kPa	444.09	Calculated Property
Pvap	136.69	kPa	458.48	Calculated Property
Pvap	202.66	kPa	472.88	Calculated Property

Similar Compounds

Find more compounds similar to 1,3-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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