Chemical Properties of Benzene, (1-pentylhexyl)- (CAS 4537-14-8)

InChI

InChI=1S/C17H28/c1-3-5-8-12-16(13-9-6-4-2)17-14-10-7-11-15-17/h7,10-11,14-16H,3-6,8-9,12-13H2,1-2H3

InChI Key

WCABIRIFXVXGQH-UHFFFAOYSA-N

Formula

C17H28

SMILES

CCCCCC(CCCCC)c1ccccc1

Molecular Weight¹

232.40

CAS

4537-14-8

Other Names

• Undecane, 6-phenyl-

• 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	0.6210		Relay (1.0) Calculated Property
ΔfG°	202.23	kJ/mol	Joback Calculated Property
ΔfH°gas	-139.35	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	30.30	kJ/mol	Joback Calculated Property
ΔvapH°	70.95	kJ/mol	Relay (1.0) Calculated Property
IE	8.69	eV	Relay (1.0) Calculated Property
log10WS	-6.65		Relay (1.0) Calculated Property
logPoct/wat	5.931		Crippen Calculated Property
McVol	226.630	ml/mol	McGowan Calculated Property
Pc	1586.01	kPa	Joback Calculated Property
Inp	[278.10; 1625.00]
Inp	1625.00		NIST
Inp	1625.00		NIST
Inp	1620.00		NIST
Inp	278.10		NIST
Inp	1620.00		NIST
Inp	278.10		NIST
I	[1820.00; 1820.00]
I	1820.00		NIST
I	1820.00		NIST
Tboil	561.19	K	Relay (1.0) Calculated Property
Tc	756.33	K	Relay (1.0) Calculated Property
Tfus	244.77	K	Relay (1.0) Calculated Property
Vc	0.842	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[308.54; 778.39]	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			-4.81520e+01
Coefficient B			1.54584e+00
Coefficient C			-9.35400e-04
Coefficient D			2.16100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	308.54	J/mol×K	273.00	Calculated Property
Cp,gas	391.23	J/mol×K	353.78	Calculated Property
Cp,gas	464.70	J/mol×K	434.56	Calculated Property
Cp,gas	529.63	J/mol×K	515.33	Calculated Property
Cp,gas	586.72	J/mol×K	596.11	Calculated Property
Cp,gas	636.65	J/mol×K	676.89	Calculated Property
Cp,gas	680.10	J/mol×K	757.67	Calculated Property
Cp,gas	717.75	J/mol×K	838.44	Calculated Property
Cp,gas	750.28	J/mol×K	919.22	Calculated Property
Cp,gas	778.39	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0044125; 0.0001702]	Pa×s	[292.77; 563.84]	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			-1.21945e+01
Coefficient B			1.98240e+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.			292.77
Temperature range, max.			563.84
η	0.0044125	Pa×s	292.77	Calculated Property
η	0.0023463	Pa×s	322.89	Calculated Property
η	0.0013896	Pa×s	353.01	Calculated Property
η	0.0008936	Pa×s	383.13	Calculated Property
η	0.0006129	Pa×s	413.25	Calculated Property
η	0.0004424	Pa×s	443.37	Calculated Property
η	0.0003329	Pa×s	473.49	Calculated Property
η	0.0002592	Pa×s	503.61	Calculated Property
η	0.0002075	Pa×s	533.72	Calculated Property
η	0.0001702	Pa×s	563.84	Calculated Property

Similar Compounds

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

Sources

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

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