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

• 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°	115.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-461.41	kJ/mol	Joback Calculated Property
ΔfusH°	44.03	kJ/mol	Joback Calculated Property
ΔvapH°	59.73	kJ/mol	Joback Calculated Property
log10WS	-7.95		Crippen 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	656.56	K	Joback Calculated Property
Tc	818.58	K	Joback Calculated Property
Tfus	[261.55; 261.60]	K
Tfus	261.55	K	NIST
Tfus	261.60 ± 2.00	K	NIST
Vc	1.149	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[840.82; 955.21]	J/mol×K	[656.56; 818.58]
Cp,gas	840.82	J/mol×K	656.56	Joback Calculated Property
Cp,gas	862.00	J/mol×K	683.56	Joback Calculated Property
Cp,gas	882.29	J/mol×K	710.57	Joback Calculated Property
Cp,gas	901.73	J/mol×K	737.57	Joback Calculated Property
Cp,gas	920.35	J/mol×K	764.58	Joback Calculated Property
Cp,gas	938.17	J/mol×K	791.58	Joback Calculated Property
Cp,gas	955.21	J/mol×K	818.58	Joback Calculated Property
η	[0.0000902; 0.0051032]	Pa×s	[300.16; 656.56]
η	0.0051032	Pa×s	300.16	Joback Calculated Property
η	0.0014944	Pa×s	359.56	Joback Calculated Property
η	0.0006199	Pa×s	418.96	Joback Calculated Property
η	0.0003200	Pa×s	478.36	Joback Calculated Property
η	0.0001911	Pa×s	537.76	Joback Calculated Property
η	0.0001265	Pa×s	597.16	Joback Calculated Property
η	0.0000902	Pa×s	656.56	Joback Calculated Property
ΔvapH	77.30	kJ/mol	440.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[457.17; 607.15]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			2.06257e+01
Coefficient B			-9.29803e+03
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

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

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