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 : 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°	48.85	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
I	1347.00		NIST
Tboil	439.69	K	Relay (1.0) Calculated Property
Tc	633.37	K	Relay (1.0) Calculated Property
Tfus	193.03	K	Relay (1.0) Calculated Property
Vc	0.433	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[212.27; 268.32]	J/mol×K	[411.10; 595.37]
Cp,gas	212.27	J/mol×K	411.10	Joback Calculated Property
Cp,gas	222.72	J/mol×K	441.81	Joback Calculated Property
Cp,gas	232.70	J/mol×K	472.52	Joback Calculated Property
Cp,gas	242.24	J/mol×K	503.23	Joback Calculated Property
Cp,gas	251.35	J/mol×K	533.95	Joback Calculated Property
Cp,gas	260.04	J/mol×K	564.66	Joback Calculated Property
Cp,gas	268.32	J/mol×K	595.37	Joback Calculated Property
η	[0.0003162; 0.0074186]	Pa×s	[202.22; 411.10]
η	0.0074186	Pa×s	202.22	Joback Calculated Property
η	0.0029798	Pa×s	237.03	Joback Calculated Property
η	0.0015119	Pa×s	271.85	Joback Calculated Property
η	0.0008949	Pa×s	306.66	Joback Calculated Property
η	0.0005894	Pa×s	341.47	Joback Calculated Property
η	0.0004194	Pa×s	376.29	Joback Calculated Property
η	0.0003162	Pa×s	411.10	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[343.32; 472.88]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
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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