Chemical Properties of Benzene, 1,1',1'',1'''-(1-ethanyl-2-ylidyne)tetrakis-

InChI

InChI=1S/C26H22/c1-5-13-22(14-6-1)21-26(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20H,21H2

InChI Key

KGSFMPRFQVLGTJ-UHFFFAOYSA-N

Formula

C26H22

SMILES

c1ccc(CC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

Molecular Weight¹

334.46

Other Names

• Ethane, 1,1,1,2-tetraphenyl-

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (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).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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	0.5650		Relay (1.0) Calculated Property
ΔcH°solid	[-13606.00; -13401.10]	kJ/mol
ΔcH°solid	-13606.00 ± 3.00	kJ/mol	NIST
ΔcH°solid	-13401.10 ± 1.30	kJ/mol	NIST
ΔfH°gas	365.00 ± 3.00	kJ/mol	NIST
ΔfH°solid	233.00 ± 3.00	kJ/mol	NIST
ΔfusH°	31.85	kJ/mol	Joback Calculated Property
ΔsubH°	[132.00; 133.00]	kJ/mol
ΔsubH°	133.00	kJ/mol	NIST
ΔsubH°	132.00	kJ/mol	NIST
ΔsubH°	132.60 ± 2.10	kJ/mol	NIST
ΔvapH°	110.60	kJ/mol	Relay (1.0) Calculated Property
IE	8.25	eV	Relay (1.0) Calculated Property
log10WS	-7.50		Relay (1.0) Calculated Property
logPoct/wat	6.264		Crippen Calculated Property
McVol	282.160	ml/mol	McGowan Calculated Property
Pc	1778.84	kPa	Joback Calculated Property
Tboil	688.70	K	Relay (1.0) Calculated Property
Tc	1012.70	K	Relay (1.0) Calculated Property
Tfus	[414.25; 417.00]	K
Tfus	417.00 ± 2.00	K	NIST
Tfus	416.75 ± 0.30	K	NIST
Tfus	414.25 ± 0.50	K	NIST
Tfus	416.75 ± 0.30	K	NIST
Tfus	414.25 ± 0.50	K	NIST
Vc	1.002	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,solid	395.40	J/mol×K	298.50	NIST
ΔsubH	[126.40; 128.70]	kJ/mol	[370.00; 434.00]
ΔsubH	128.70 ± 2.10	kJ/mol	370.00	NIST
ΔsubH	126.40 ± 1.70	kJ/mol	434.00	NIST

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[326.55; 888.06]	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			-1.80839e+02
Coefficient B			2.28400e+00
Coefficient C			-1.68720e-03
Coefficient D			4.72100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	326.55	J/mol×K	273.00	Calculated Property
Cp,gas	436.93	J/mol×K	353.78	Calculated Property
Cp,gas	531.82	J/mol×K	434.56	Calculated Property
Cp,gas	612.73	J/mol×K	515.33	Calculated Property
Cp,gas	681.14	J/mol×K	596.11	Calculated Property
Cp,gas	738.55	J/mol×K	676.89	Calculated Property
Cp,gas	786.46	J/mol×K	757.67	Calculated Property
Cp,gas	826.35	J/mol×K	838.44	Calculated Property
Cp,gas	859.72	J/mol×K	919.22	Calculated Property
Cp,gas	888.06	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0021570; 0.0000512]	Pa×s	[415.80; 825.72]	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			-1.36735e+01
Coefficient B			3.13282e+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.			415.80
Temperature range, max.			825.72
η	0.0021570	Pa×s	415.80	Calculated Property
η	0.0010252	Pa×s	461.35	Calculated Property
η	0.0005569	Pa×s	506.89	Calculated Property
η	0.0003346	Pa×s	552.44	Calculated Property
η	0.0002172	Pa×s	597.99	Calculated Property
η	0.0001499	Pa×s	643.53	Calculated Property
η	0.0001087	Pa×s	689.08	Calculated Property
η	0.0000820	Pa×s	734.62	Calculated Property
η	0.0000639	Pa×s	780.17	Calculated Property
η	0.0000512	Pa×s	825.72	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1,1',1'',1'''-(1-ethanyl-2-ylidyne)tetrakis-.

Sources

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

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