Chemical Properties of Benzene, 1,1',1''-ethylidynetris- (CAS 5271-39-6)

InChI

InChI=1S/C20H18/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19/h2-16H,1H3

InChI Key

QIDUHGHFWAMMPV-UHFFFAOYSA-N

Formula

C20H18

SMILES

CC(c1ccccc1)(c1ccccc1)c1ccccc1

Molecular Weight¹

258.36

CAS

5271-39-6

Other Names

• 1,1,1-Triphenylethane
• Ethane, 1,1,1-triphenyl-

• 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_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (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_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4571		Relay (1.0) Calculated Property
ΔcH°solid	-10599.80 ± 2.00	kJ/mol	NIST
ΔfH°gas	277.56	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	22.27	kJ/mol	Joback Calculated Property
ΔsubH°	108.60 ± 0.90	kJ/mol	NIST
ΔvapH°	92.15	kJ/mol	Relay (1.0) Calculated Property
IE	8.15	eV	Relay (1.0) Calculated Property
log10WS	-5.99		Relay (1.0) Calculated Property
logPoct/wat	5.041		Crippen Calculated Property
McVol	221.380	ml/mol	McGowan Calculated Property
Pc	2212.45	kPa	Joback Calculated Property
Tboil	614.71	K	Relay (1.0) Calculated Property
Tc	898.92	K	Relay (1.0) Calculated Property
Tfus	[366.00; 368.15]	K
Tfus	368.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	367.90 ± 3.00	K	NIST
Tfus	Outlier 366.00 ± 4.00	K	NIST
Tfus	367.40 ± 0.60	K	NIST
Tfus	367.60 ± 2.00	K	NIST
Tfus	368.05 ± 0.30	K	NIST
Tfus	367.45 ± 0.20	K	NIST

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[256.53; 697.04]	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			-1.41480e+02
Coefficient B			1.79292e+00
Coefficient C			-1.32960e-03
Coefficient D			3.75200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	256.53	J/mol×K	273.00	Calculated Property
Cp,gas	343.02	J/mol×K	353.78	Calculated Property
Cp,gas	417.35	J/mol×K	434.56	Calculated Property
Cp,gas	480.72	J/mol×K	515.33	Calculated Property
Cp,gas	534.31	J/mol×K	596.11	Calculated Property
Cp,gas	579.30	J/mol×K	676.89	Calculated Property
Cp,gas	616.88	J/mol×K	757.67	Calculated Property
Cp,gas	648.24	J/mol×K	838.44	Calculated Property
Cp,gas	674.56	J/mol×K	919.22	Calculated Property
Cp,gas	697.04	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0025747; 0.0000955]	Pa×s	[367.76; 704.51]	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			-1.28536e+01
Coefficient B			2.53444e+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.			367.76
Temperature range, max.			704.51
η	0.0025747	Pa×s	367.76	Calculated Property
η	0.0013625	Pa×s	405.18	Calculated Property
η	0.0008029	Pa×s	442.59	Calculated Property
η	0.0005138	Pa×s	480.01	Calculated Property
η	0.0003507	Pa×s	517.43	Calculated Property
η	0.0002521	Pa×s	554.84	Calculated Property
η	0.0001889	Pa×s	592.26	Calculated Property
η	0.0001465	Pa×s	629.68	Calculated Property
η	0.0001169	Pa×s	667.10	Calculated Property
η	0.0000955	Pa×s	704.51	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1,1',1''-ethylidynetris-.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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