Chemical Properties of Hexadecane, 6,11-dipentyl- (CAS 15874-03-0)

InChI

InChI=1S/C26H54/c1-5-9-13-19-25(20-14-10-6-2)23-17-18-24-26(21-15-11-7-3)22-16-12-8-4/h25-26H,5-24H2,1-4H3

InChI Key

PNYSRXNTUVFUNI-UHFFFAOYSA-N

Formula

C26H54

SMILES

CCCCCC(CCCCC)CCCCC(CCCCC)CCCCC

Molecular Weight¹

366.71

CAS

15874-03-0

Other Names

• 6,11-Di-n-pentylhexadecane
• 6,11-Dipentylhexadecane

• 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).
• 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	0.9535		Relay (1.0) Calculated Property
ΔfG°	163.16	kJ/mol	Joback Calculated Property
ΔfH°gas	-605.76	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	56.05	kJ/mol	Joback Calculated Property
ΔvapH°	112.73	kJ/mol	Relay (1.0) Calculated Property
IE	9.64	eV	Relay (1.0) Calculated Property
log10WS	-10.02		Relay (1.0) Calculated Property
logPoct/wat	10.100		Crippen Calculated Property
McVol	377.200	ml/mol	McGowan Calculated Property
Pc	731.25	kPa	Joback Calculated Property
Tboil	620.99	K	Relay (1.0) Calculated Property
Tc	785.83	K	Relay (1.0) Calculated Property
Tfus	[257.00; 257.00]	K
Tfus	257.00 ± 2.00	K	NIST
Tfus	257.00 ± 0.60	K	NIST
Vc	1.445	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[556.41; 1361.77]	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			-2.41100e+01
Coefficient B			2.48568e+00
Coefficient C			-1.39700e-03
Coefficient D			2.97200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	556.41	J/mol×K	273.00	Calculated Property
Cp,gas	693.58	J/mol×K	353.78	Calculated Property
Cp,gas	816.64	J/mol×K	434.56	Calculated Property
Cp,gas	926.52	J/mol×K	515.33	Calculated Property
Cp,gas	1024.16	J/mol×K	596.11	Calculated Property
Cp,gas	1110.52	J/mol×K	676.89	Calculated Property
Cp,gas	1186.51	J/mol×K	757.67	Calculated Property
Cp,gas	1253.09	J/mol×K	838.44	Calculated Property
Cp,gas	1311.20	J/mol×K	919.22	Calculated Property
Cp,gas	1361.77	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0638489; 0.0000668]	Pa×s	[257.00; 680.31]	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			-1.37794e+01
Coefficient B			2.83424e+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.			257.00
Temperature range, max.			680.31
η	0.0638489	Pa×s	257.00	Calculated Property
η	0.0115937	Pa×s	304.03	Calculated Property
η	0.0033252	Pa×s	351.07	Calculated Property
η	0.0012811	Pa×s	398.10	Calculated Property
η	0.0006038	Pa×s	445.14	Calculated Property
η	0.0003286	Pa×s	492.17	Calculated Property
η	0.0001988	Pa×s	539.20	Calculated Property
η	0.0001304	Pa×s	586.24	Calculated Property
η	0.0000911	Pa×s	633.27	Calculated Property
η	0.0000668	Pa×s	680.31	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[522.56; 703.22]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.62611e+01
Coefficient B			-6.28969e+03
Coefficient C			-1.28800e+02
Temperature range, min.			522.56
Temperature range, max.			703.22
Pvap	1.33	kPa	522.56	Calculated Property
Pvap	2.89	kPa	542.63	Calculated Property
Pvap	5.85	kPa	562.71	Calculated Property
Pvap	11.10	kPa	582.78	Calculated Property
Pvap	19.95	kPa	602.85	Calculated Property
Pvap	34.20	kPa	622.93	Calculated Property
Pvap	56.21	kPa	643.00	Calculated Property
Pvap	89.00	kPa	663.07	Calculated Property
Pvap	136.31	kPa	683.15	Calculated Property
Pvap	202.64	kPa	703.22	Calculated Property

Similar Compounds

Find more compounds similar to Hexadecane, 6,11-dipentyl-.

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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