Chemical Properties of (S)-(+)-3-methylhexane (CAS 6131-24-4)

InChI

InChI=1S/C7H16/c1-4-6-7(3)5-2/h7H,4-6H2,1-3H3/t7-/m1/s1

InChI Key

VLJXXKKOSFGPHI-SSDOTTSWSA-N

Formula

C7H16

SMILES

CCCC(C)CC

Molecular Weight¹

100.20

CAS

6131-24-4

• 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).
• 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	0.3162		Relay (1.0) Calculated Property
ΔfG°	5.62	kJ/mol	Joback Calculated Property
ΔfH°gas	-194.43	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	10.36	kJ/mol	Joback Calculated Property
ΔvapH°	35.28	kJ/mol	Relay (1.0) Calculated Property
IE	9.87	eV	Relay (1.0) Calculated Property
log10WS	-4.44		Relay (1.0) Calculated Property
logPoct/wat	2.833		Crippen Calculated Property
McVol	109.490	ml/mol	McGowan Calculated Property
Pc	2823.32	kPa	Joback Calculated Property
Tboil	[363.80; 365.15]	K
Tboil	364.65 ± 1.50	K	NIST
Tboil	363.80 ± 1.00	K	NIST
Tboil	365.05 ± 0.40	K	NIST
Tboil	365.15 ± 2.00	K	NIST
Tboil	364.65 ± 2.00	K	NIST
Tboil	365.15 ± 2.00	K	NIST
Tc	539.77	K	Relay (1.0) Calculated Property
Tfus	146.91	K	Relay (1.0) Calculated Property
Vc	0.410	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[153.66; 381.00]	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			-5.15700e+00
Coefficient B			6.74760e-01
Coefficient C			-3.60200e-04
Coefficient D			7.16000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	153.66	J/mol×K	273.00	Calculated Property
Cp,gas	191.65	J/mol×K	353.78	Calculated Property
Cp,gas	225.92	J/mol×K	434.56	Calculated Property
Cp,gas	256.71	J/mol×K	515.33	Calculated Property
Cp,gas	284.25	J/mol×K	596.11	Calculated Property
Cp,gas	308.75	J/mol×K	676.89	Calculated Property
Cp,gas	330.45	J/mol×K	757.67	Calculated Property
Cp,gas	349.58	J/mol×K	838.44	Calculated Property
Cp,gas	366.35	J/mol×K	919.22	Calculated Property
Cp,gas	381.00	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0099972; 0.0002182]	Pa×s	[153.65; 368.78]	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			-1.11618e+01
Coefficient B			1.00738e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			153.65
Temperature range, max.			368.78
η	0.0099972	Pa×s	153.65	Calculated Property
η	0.0041357	Pa×s	177.55	Calculated Property
η	0.0021095	Pa×s	201.46	Calculated Property
η	0.0012412	Pa×s	225.36	Calculated Property
η	0.0008085	Pa×s	249.26	Calculated Property
η	0.0005677	Pa×s	273.17	Calculated Property
η	0.0004219	Pa×s	297.07	Calculated Property
η	0.0003277	Pa×s	320.97	Calculated Property
η	0.0002637	Pa×s	344.88	Calculated Property
η	0.0002182	Pa×s	368.78	Calculated Property

Similar Compounds

Find more compounds similar to (S)-(+)-3-methylhexane.

Sources

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

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