Chemical Properties of 1,4-Dichlorohexane (CAS 50635-35-3)

InChI

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

InChI Key

QUBRHRAWRVZUFZ-UHFFFAOYSA-N

Formula

C6H12Cl2

SMILES

CCC(Cl)CCCCl

Molecular Weight¹

155.06

CAS

50635-35-3

Other Names

• Hexane, 1,4-dichloro

• 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°	-26.66	kJ/mol	Joback Calculated Property
ΔfH°gas	-203.93	kJ/mol	Joback Calculated Property
ΔfusH°	16.17	kJ/mol	Joback Calculated Property
ΔvapH°	37.33	kJ/mol	Joback Calculated Property
log10WS	-2.75		Crippen 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	[1058.00; 1058.00]
Inp	1058.00		NIST
Inp	1058.00		NIST
Inp	1058.00		NIST
I	1419.00		NIST
Tboil	411.10	K	Joback Calculated Property
Tc	595.37	K	Joback Calculated Property
Tfus	202.22	K	Joback Calculated Property
Vc	0.464	m3/kmol	Joback 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; 202.62]	kPa	[349.72; 470.78]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.69346e+01
Coefficient B			-4.66271e+03
Coefficient C			-6.96280e+01
Temperature range, min.			349.72
Temperature range, max.			470.78
Pvap	1.33	kPa	349.72	Calculated Property
Pvap	2.86	kPa	363.17	Calculated Property
Pvap	5.73	kPa	376.62	Calculated Property
Pvap	10.85	kPa	390.07	Calculated Property
Pvap	19.49	kPa	403.52	Calculated Property
Pvap	33.48	kPa	416.98	Calculated Property
Pvap	55.22	kPa	430.43	Calculated Property
Pvap	87.87	kPa	443.88	Calculated Property
Pvap	135.38	kPa	457.33	Calculated Property
Pvap	202.62	kPa	470.78	Calculated Property

Similar Compounds

Find more compounds similar to 1,4-Dichlorohexane.

Sources

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

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