Chemical Properties of Hexadecane, 5-butyl- (CAS 6912-07-8)

InChI

InChI=1S/C20H42/c1-4-7-10-11-12-13-14-15-16-19-20(17-8-5-2)18-9-6-3/h20H,4-19H2,1-3H3

InChI Key

WCYRXBXHFUHSAH-UHFFFAOYSA-N

Formula

C20H42

SMILES

CCCCCCCCCCCC(CCCC)CCCC

Molecular Weight¹

282.55

CAS

6912-07-8

Other Names

• 5-Butylhexadecane
• 5-n-Butylhexadecane

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• 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
ω	0.8051		Relay (1.0) Calculated Property
ΔfG°	115.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-455.21	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	44.03	kJ/mol	Joback Calculated Property
ΔvapH°	91.90	kJ/mol	Relay (1.0) Calculated Property
IE	9.54	eV	Relay (1.0) Calculated Property
log10WS	-8.53		Relay (1.0) Calculated Property
logPoct/wat	7.904		Crippen Calculated Property
McVol	292.660	ml/mol	McGowan Calculated Property
Pc	1020.73	kPa	Joback Calculated Property
Inp	[1896.00; 1897.00]
Inp	1896.00		NIST
Inp	1897.00		NIST
Inp	1896.00		NIST
Tboil	577.88	K	Relay (1.0) Calculated Property
Tc	747.00	K	Relay (1.0) Calculated Property
Tfus	[261.55; 261.60]	K
Tfus	261.55	K	NIST
Tfus	261.60 ± 2.00	K	NIST
Vc	1.132	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[429.44; 1051.69]	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			-1.69740e+01
Coefficient B			1.90976e+00
Coefficient C			-1.06740e-03
Coefficient D			2.26300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	429.44	J/mol×K	273.00	Calculated Property
Cp,gas	535.08	J/mol×K	353.78	Calculated Property
Cp,gas	629.93	J/mol×K	434.56	Calculated Property
Cp,gas	714.69	J/mol×K	515.33	Calculated Property
Cp,gas	790.09	J/mol×K	596.11	Calculated Property
Cp,gas	856.85	J/mol×K	676.89	Calculated Property
Cp,gas	915.67	J/mol×K	757.67	Calculated Property
Cp,gas	967.27	J/mol×K	838.44	Calculated Property
Cp,gas	1012.37	J/mol×K	919.22	Calculated Property
Cp,gas	1051.69	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0152792; 0.0001479]	Pa×s	[261.58; 573.18]	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			-1.27121e+01
Coefficient B			2.23146e+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.			261.58
Temperature range, max.			573.18
η	0.0152792	Pa×s	261.58	Calculated Property
η	0.0056367	Pa×s	296.20	Calculated Property
η	0.0025621	Pa×s	330.82	Calculated Property
η	0.0013523	Pa×s	365.44	Calculated Property
η	0.0007972	Pa×s	400.07	Calculated Property
η	0.0005112	Pa×s	434.69	Calculated Property
η	0.0003501	Pa×s	469.31	Calculated Property
η	0.0002525	Pa×s	503.94	Calculated Property
η	0.0001900	Pa×s	538.56	Calculated Property
η	0.0001479	Pa×s	573.18	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[457.17; 607.15]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			2.06257e+01
Coefficient B			-9.29803e+03
Coefficient C			0.00000e+00
Temperature range, min.			457.17
Temperature range, max.			607.15
Pvap	1.33	kPa	457.17	Calculated Property
Pvap	2.73	kPa	473.83	Calculated Property
Pvap	5.31	kPa	490.50	Calculated Property
Pvap	9.90	kPa	507.16	Calculated Property
Pvap	17.74	kPa	523.83	Calculated Property
Pvap	30.66	kPa	540.49	Calculated Property
Pvap	51.28	kPa	557.16	Calculated Property
Pvap	83.26	kPa	573.82	Calculated Property
Pvap	131.54	kPa	590.49	Calculated Property
Pvap	202.66	kPa	607.15	Calculated Property

Similar Compounds

Find more compounds similar to Hexadecane, 5-butyl-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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