Chemical Properties of 3-Chloro-6-methylheptane

InChI

InChI=1S/C8H17Cl/c1-4-8(9)6-5-7(2)3/h7-8H,4-6H2,1-3H3

InChI Key

GMLQONWBBDPDQO-UHFFFAOYSA-N

Formula

C8H17Cl

SMILES

CCC(Cl)CCC(C)C

Molecular Weight¹

148.68

Other Names

• Heptane, 3-chloro-6-methyl

• 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	0.3729		Relay (1.0) Calculated Property
ΔfG°	-0.33	kJ/mol	Joback Calculated Property
ΔfH°gas	-261.43	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	13.63	kJ/mol	Joback Calculated Property
ΔvapH°	46.91	kJ/mol	Relay (1.0) Calculated Property
IE	9.91	eV	Relay (1.0) Calculated Property
log10WS	-4.37		Relay (1.0) Calculated Property
logPoct/wat	3.440		Crippen Calculated Property
McVol	135.820	ml/mol	McGowan Calculated Property
Pc	2482.59	kPa	Joback Calculated Property
Inp	[966.00; 966.00]
Inp	966.00		NIST
Inp	966.00		NIST
Inp	966.00		NIST
Tboil	431.92	K	Relay (1.0) Calculated Property
Tc	614.23	K	Relay (1.0) Calculated Property
Tfus	197.52	K	Relay (1.0) Calculated Property
Vc	0.506	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[187.97; 441.40]	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			5.14300e+00
Coefficient B			7.82460e-01
Coefficient C			-4.38200e-04
Coefficient D			9.20000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	187.97	J/mol×K	273.00	Calculated Property
Cp,gas	231.19	J/mol×K	353.78	Calculated Property
Cp,gas	269.97	J/mol×K	434.56	Calculated Property
Cp,gas	304.59	J/mol×K	515.33	Calculated Property
Cp,gas	335.35	J/mol×K	596.11	Calculated Property
Cp,gas	362.54	J/mol×K	676.89	Calculated Property
Cp,gas	386.45	J/mol×K	757.67	Calculated Property
Cp,gas	407.37	J/mol×K	838.44	Calculated Property
Cp,gas	425.59	J/mol×K	919.22	Calculated Property
Cp,gas	441.40	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0164704; 0.0002579]	Pa×s	[179.84; 418.55]	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			-1.13942e+01
Coefficient B			1.31068e+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.			179.84
Temperature range, max.			418.55
η	0.0164704	Pa×s	179.84	Calculated Property
η	0.0064550	Pa×s	206.36	Calculated Property
η	0.0031315	Pa×s	232.89	Calculated Property
η	0.0017613	Pa×s	259.41	Calculated Property
η	0.0011023	Pa×s	285.93	Calculated Property
η	0.0007470	Pa×s	312.46	Calculated Property
η	0.0005380	Pa×s	338.98	Calculated Property
η	0.0004064	Pa×s	365.50	Calculated Property
η	0.0003188	Pa×s	392.03	Calculated Property
η	0.0002579	Pa×s	418.55	Calculated Property

Similar Compounds

Find more compounds similar to 3-Chloro-6-methylheptane.

Sources

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

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