Chemical Properties of Benzene, 1,4-didecyl- (CAS 2655-95-0)

InChI

InChI=1S/C26H46/c1-3-5-7-9-11-13-15-17-19-25-21-23-26(24-22-25)20-18-16-14-12-10-8-6-4-2/h21-24H,3-20H2,1-2H3

InChI Key

LVYZEGXWMAKHQM-UHFFFAOYSA-N

Formula

C26H46

SMILES

CCCCCCCCCCc1ccc(CCCCCCCCCC)cc1

Molecular Weight¹

358.64

CAS

2655-95-0

Other Names

• 1,4-Di-n-decylbenzene
• 1,4-Didecylbenzene
• Benzene, p-didecyl-

• 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	1.0263		Relay (1.0) Calculated Property
ΔfG°	270.82	kJ/mol	Joback Calculated Property
ΔfH°gas	-351.29	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	56.75	kJ/mol	Joback Calculated Property
ΔvapH°	122.85	kJ/mol	Relay (1.0) Calculated Property
IE	8.90	eV	Relay (1.0) Calculated Property
log10WS	-9.36		Relay (1.0) Calculated Property
logPoct/wat	9.053		Crippen Calculated Property
McVol	353.440	ml/mol	McGowan Calculated Property
Pc	866.07	kPa	Joback Calculated Property
Tboil	650.81	K	Relay (1.0) Calculated Property
Tc	831.72	K	Relay (1.0) Calculated Property
Tfus	[302.15; 303.00]	K
Tfus	302.15 ± 0.50	K	NIST
Tfus	303.00 ± 1.00	K	NIST
Vc	1.393	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[502.33; 1239.13]	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			-4.03520e+01
Coefficient B			2.33544e+00
Coefficient C			-1.35476e-03
Coefficient D			2.98800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	502.33	J/mol×K	273.00	Calculated Property
Cp,gas	629.55	J/mol×K	353.78	Calculated Property
Cp,gas	743.22	J/mol×K	434.56	Calculated Property
Cp,gas	844.29	J/mol×K	515.33	Calculated Property
Cp,gas	933.71	J/mol×K	596.11	Calculated Property
Cp,gas	1012.43	J/mol×K	676.89	Calculated Property
Cp,gas	1081.38	J/mol×K	757.67	Calculated Property
Cp,gas	1141.52	J/mol×K	838.44	Calculated Property
Cp,gas	1193.79	J/mol×K	919.22	Calculated Property
Cp,gas	1239.13	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0140445; 0.0000775]	Pa×s	[302.57; 710.41]	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			-1.33236e+01
Coefficient B			2.74076e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			302.57
Temperature range, max.			710.41
η	0.0140445	Pa×s	302.57	Calculated Property
η	0.0043160	Pa×s	347.89	Calculated Property
η	0.0017409	Pa×s	393.21	Calculated Property
η	0.0008471	Pa×s	438.52	Calculated Property
η	0.0004718	Pa×s	483.84	Calculated Property
η	0.0002904	Pa×s	529.15	Calculated Property
η	0.0001930	Pa×s	574.47	Calculated Property
η	0.0001362	Pa×s	619.78	Calculated Property
η	0.0001008	Pa×s	665.10	Calculated Property
η	0.0000775	Pa×s	710.41	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[512.00; 747.55]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.34844e+01
Coefficient B			-5.05701e+03
Coefficient C			-1.28800e+02
Temperature range, min.			512.00
Temperature range, max.			747.55
Pvap	1.33	kPa	512.00	Calculated Property
Pvap	3.10	kPa	538.17	Calculated Property
Pvap	6.51	kPa	564.34	Calculated Property
Pvap	12.58	kPa	590.52	Calculated Property
Pvap	22.63	kPa	616.69	Calculated Property
Pvap	38.36	kPa	642.86	Calculated Property
Pvap	61.78	kPa	669.03	Calculated Property
Pvap	95.22	kPa	695.21	Calculated Property
Pvap	141.24	kPa	721.38	Calculated Property
Pvap	202.64	kPa	747.55	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1,4-didecyl-.

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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