Chemical Properties of 3-Chlorohexane (CAS 2346-81-8)

InChI

InChI=1S/C6H13Cl/c1-3-5-6(7)4-2/h6H,3-5H2,1-2H3

InChI Key

BXSMMAVTEURRGG-UHFFFAOYSA-N

Formula

C6H13Cl

SMILES

CCCC(Cl)CC

Molecular Weight¹

120.62

CAS

2346-81-8

Other Names

• Hexane, 3-chloro-

• 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°	-14.73	kJ/mol	Joback Calculated Property
ΔfH°gas	-188.19	kJ/mol	Joback Calculated Property
ΔfusH°	11.97	kJ/mol	Joback Calculated Property
ΔvapH°	32.95	kJ/mol	Joback Calculated Property
log10WS	-2.60		Crippen Calculated Property
logPoct/wat	2.804		Crippen Calculated Property
McVol	107.640	ml/mol	McGowan Calculated Property
Pc	3009.03	kPa	Joback Calculated Property
Inp	[795.00; 812.00]
Inp	812.00		NIST
Inp	812.00		NIST
Inp	801.00		NIST
Inp	795.00		NIST
I	[965.00; 982.00]
I	967.00		NIST
I	982.00		NIST
I	965.00		NIST
I	974.00		NIST
Tboil	396.00 ± 5.00	K	NIST
Tc	550.01	K	Joback Calculated Property
Tfus	172.30	K	Joback Calculated Property
Vc	0.414	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[185.85; 244.00]	J/mol×K	[373.67; 550.01]
Cp,gas	185.85	J/mol×K	373.67	Joback Calculated Property
Cp,gas	196.56	J/mol×K	403.06	Joback Calculated Property
Cp,gas	206.84	J/mol×K	432.45	Joback Calculated Property
Cp,gas	216.72	J/mol×K	461.84	Joback Calculated Property
Cp,gas	226.20	J/mol×K	491.23	Joback Calculated Property
Cp,gas	235.29	J/mol×K	520.62	Joback Calculated Property
Cp,gas	244.00	J/mol×K	550.01	Joback Calculated Property
η	[0.0002833; 0.0084225]	Pa×s	[172.30; 373.67]
η	0.0084225	Pa×s	172.30	Joback Calculated Property
η	0.0030184	Pa×s	205.86	Joback Calculated Property
η	0.0014423	Pa×s	239.42	Joback Calculated Property
η	0.0008264	Pa×s	272.99	Joback Calculated Property
η	0.0005349	Pa×s	306.55	Joback Calculated Property
η	0.0003773	Pa×s	340.11	Joback Calculated Property
η	0.0002833	Pa×s	373.67	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[297.92; 419.43]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.55088e+01
Coefficient B			-3.75415e+03
Coefficient C			-5.12800e+01
Temperature range, min.			297.92
Temperature range, max.			419.43
Pvap	1.33	kPa	297.92	Calculated Property
Pvap	2.94	kPa	311.42	Calculated Property
Pvap	5.99	kPa	324.92	Calculated Property
Pvap	11.41	kPa	338.42	Calculated Property
Pvap	20.53	kPa	351.92	Calculated Property
Pvap	35.11	kPa	365.43	Calculated Property
Pvap	57.45	kPa	378.93	Calculated Property
Pvap	90.40	kPa	392.43	Calculated Property
Pvap	137.44	kPa	405.93	Calculated Property
Pvap	202.64	kPa	419.43	Calculated Property

Similar Compounds

Find more compounds similar to 3-Chlorohexane.

Sources

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

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