Chemical Properties of Benzene, (1-butylhexyl)-

InChI

InChI=1S/C16H26/c1-3-5-8-12-15(11-6-4-2)16-13-9-7-10-14-16/h7,9-10,13-15H,3-6,8,11-12H2,1-2H3

InChI Key

CDOBABYRHNVZQG-UHFFFAOYSA-N

Formula

C16H26

SMILES

CCCCCC(CCCC)c1ccccc1

Molecular Weight¹

218.38

Other Names

• Decane, 5-phenyl-
• (5-Decyl)benzene

• 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).
• I_np : Non-polar retention indices.
• I : 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	0.5768		Relay (1.0) Calculated Property
ΔfG°	193.81	kJ/mol	Joback Calculated Property
ΔfH°gas	-118.66	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	27.71	kJ/mol	Joback Calculated Property
ΔvapH°	68.21	kJ/mol	Relay (1.0) Calculated Property
IE	8.65	eV	Relay (1.0) Calculated Property
log10WS	-6.31		Relay (1.0) Calculated Property
logPoct/wat	5.541		Crippen Calculated Property
McVol	212.540	ml/mol	McGowan Calculated Property
Pc	1714.61	kPa	Joback Calculated Property
Inp	[263.10; 1537.00]
Inp	1526.00		NIST
Inp	1528.00		NIST
Inp	1537.00		NIST
Inp	1526.00		NIST
Inp	1535.00		NIST
Inp	1526.00		NIST
Inp	263.10		NIST
Inp	263.10		NIST
Inp	1535.00		NIST
I	[1729.00; 1729.00]
I	1729.00		NIST
I	1729.00		NIST
Tboil	547.85	K	Relay (1.0) Calculated Property
Tc	747.59	K	Relay (1.0) Calculated Property
Tfus	233.75	K	Relay (1.0) Calculated Property
Vc	0.789	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[545.21; 647.50]	J/mol×K	[591.92; 784.88]
Cp,gas	545.21	J/mol×K	591.92	Joback Calculated Property
Cp,gas	564.70	J/mol×K	624.08	Joback Calculated Property
Cp,gas	583.16	J/mol×K	656.24	Joback Calculated Property
Cp,gas	600.63	J/mol×K	688.40	Joback Calculated Property
Cp,gas	617.15	J/mol×K	720.56	Joback Calculated Property
Cp,gas	632.76	J/mol×K	752.72	Joback Calculated Property
Cp,gas	647.50	J/mol×K	784.88	Joback Calculated Property
η	[0.0001409; 0.0047483]	Pa×s	[281.50; 591.92]
η	0.0047483	Pa×s	281.50	Joback Calculated Property
η	0.0016759	Pa×s	333.24	Joback Calculated Property
η	0.0007826	Pa×s	384.97	Joback Calculated Property
η	0.0004377	Pa×s	436.71	Joback Calculated Property
η	0.0002769	Pa×s	488.45	Joback Calculated Property
η	0.0001912	Pa×s	540.18	Joback Calculated Property
η	0.0001409	Pa×s	591.92	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzene, (1-butylhexyl)-.

Sources

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

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