Chemical Properties of Hexadecane, 3-methyl- (CAS 6418-43-5)

InChI

InChI=1S/C17H36/c1-4-6-7-8-9-10-11-12-13-14-15-16-17(3)5-2/h17H,4-16H2,1-3H3

InChI Key

WWPCLIMUTNKTDY-UHFFFAOYSA-N

Formula

C17H36

SMILES

CCCCCCCCCCCCCC(C)CC

Molecular Weight¹

240.47

CAS

6418-43-5

Other Names

• 3-Methylhexadecane

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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.
• 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°	89.82	kJ/mol	Joback Calculated Property
ΔfH°gas	-399.49	kJ/mol	Joback Calculated Property
ΔfusH°	36.26	kJ/mol	Joback Calculated Property
ΔvapH°	53.05	kJ/mol	Joback Calculated Property
log10WS	-6.70		Crippen Calculated Property
logPoct/wat	6.734		Crippen Calculated Property
McVol	250.390	ml/mol	McGowan Calculated Property
Pc	1238.09	kPa	Joback Calculated Property
Inp	[1668.00; 1677.00]
Inp	1673.00		NIST
Inp	1673.00		NIST
Inp	1673.00		NIST
Inp	1677.00		NIST
Inp	1668.00		NIST
Inp	1673.00		NIST
Inp	1668.00		NIST
Tboil	587.92	K	Joback Calculated Property
Tc	748.86	K	Joback Calculated Property
Tfus	266.35	K	Joback Calculated Property
Vc	0.982	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[667.18; 775.45]	J/mol×K	[587.92; 748.86]
Cp,gas	667.18	J/mol×K	587.92	Joback Calculated Property
Cp,gas	687.14	J/mol×K	614.74	Joback Calculated Property
Cp,gas	706.30	J/mol×K	641.57	Joback Calculated Property
Cp,gas	724.69	J/mol×K	668.39	Joback Calculated Property
Cp,gas	742.33	J/mol×K	695.21	Joback Calculated Property
Cp,gas	759.24	J/mol×K	722.04	Joback Calculated Property
Cp,gas	775.45	J/mol×K	748.86	Joback Calculated Property
η	[0.0001283; 0.0070198]	Pa×s	[266.35; 587.92]
η	0.0070198	Pa×s	266.35	Joback Calculated Property
η	0.0020606	Pa×s	319.94	Joback Calculated Property
η	0.0008598	Pa×s	373.54	Joback Calculated Property
η	0.0004468	Pa×s	427.13	Joback Calculated Property
η	0.0002686	Pa×s	480.73	Joback Calculated Property
η	0.0001789	Pa×s	534.33	Joback Calculated Property
η	0.0001283	Pa×s	587.92	Joback Calculated Property
ΔvapH	63.40	kJ/mol	497.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[432.74; 605.71]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.42805e+01
Coefficient B			-4.32094e+03
Coefficient C			-1.23950e+02
Temperature range, min.			432.74
Temperature range, max.			605.71
Pvap	1.33	kPa	432.74	Calculated Property
Pvap	3.03	kPa	451.96	Calculated Property
Pvap	6.27	kPa	471.18	Calculated Property
Pvap	12.05	kPa	490.40	Calculated Property
Pvap	21.69	kPa	509.62	Calculated Property
Pvap	36.91	kPa	528.83	Calculated Property
Pvap	59.87	kPa	548.05	Calculated Property
Pvap	93.11	kPa	567.27	Calculated Property
Pvap	139.60	kPa	586.49	Calculated Property
Pvap	202.65	kPa	605.71	Calculated Property

Similar Compounds

Find more compounds similar to Hexadecane, 3-methyl-.

Sources

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

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