Chemical Properties of Hexane, 3-chloro-2-methyl

InChI

InChI=1S/C7H15Cl/c1-4-5-7(8)6(2)3/h6-7H,4-5H2,1-3H3

InChI Key

KIXBHBIAUACDNJ-UHFFFAOYSA-N

Formula

C7H15Cl

SMILES

CCCC(Cl)C(C)C

Molecular Weight¹

134.65

• 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).
• I_np : Non-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	0.3227		Relay (1.0) Calculated Property
ΔfG°	-8.75	kJ/mol	Joback Calculated Property
ΔfH°gas	-222.77	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	11.04	kJ/mol	Joback Calculated Property
ΔvapH°	42.57	kJ/mol	Relay (1.0) Calculated Property
IE	10.01	eV	Relay (1.0) Calculated Property
log10WS	-3.85		Relay (1.0) Calculated Property
logPoct/wat	3.050		Crippen Calculated Property
McVol	121.730	ml/mol	McGowan Calculated Property
Pc	2738.28	kPa	Joback Calculated Property
Inp	[850.00; 850.00]
Inp	850.00		NIST
Inp	850.00		NIST
Tboil	404.86	K	Relay (1.0) Calculated Property
Tc	594.47	K	Relay (1.0) Calculated Property
Tfus	191.63	K	Relay (1.0) Calculated Property
Vc	0.448	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[166.75; 389.81]	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			6.05200e+00
Coefficient B			6.87460e-01
Coefficient C			-3.83800e-04
Coefficient D			8.01000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	166.75	J/mol×K	273.00	Calculated Property
Cp,gas	204.77	J/mol×K	353.78	Calculated Property
Cp,gas	238.89	J/mol×K	434.56	Calculated Property
Cp,gas	269.36	J/mol×K	515.33	Calculated Property
Cp,gas	296.44	J/mol×K	596.11	Calculated Property
Cp,gas	320.38	J/mol×K	676.89	Calculated Property
Cp,gas	341.43	J/mol×K	757.67	Calculated Property
Cp,gas	359.85	J/mol×K	838.44	Calculated Property
Cp,gas	375.90	J/mol×K	919.22	Calculated Property
Cp,gas	389.81	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0169478; 0.0002541]	Pa×s	[168.57; 403.31]	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			-1.12943e+01
Coefficient B			1.21652e+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.			168.57
Temperature range, max.			403.31
η	0.0169478	Pa×s	168.57	Calculated Property
η	0.0064440	Pa×s	194.65	Calculated Property
η	0.0030792	Pa×s	220.73	Calculated Property
η	0.0017199	Pa×s	246.82	Calculated Property
η	0.0010738	Pa×s	272.90	Calculated Property
η	0.0007278	Pa×s	298.98	Calculated Property
η	0.0005251	Pa×s	325.06	Calculated Property
η	0.0003977	Pa×s	351.14	Calculated Property
η	0.0003130	Pa×s	377.23	Calculated Property
η	0.0002541	Pa×s	403.31	Calculated Property

Similar Compounds

Find more compounds similar to Hexane, 3-chloro-2-methyl.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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