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

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

• 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; 368.05]	K
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

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[606.48; 698.63]	J/mol×K	[733.81; 1006.17]
Cp,gas	606.48	J/mol×K	733.81	Joback Calculated Property
Cp,gas	625.80	J/mol×K	779.20	Joback Calculated Property
Cp,gas	643.25	J/mol×K	824.60	Joback Calculated Property
Cp,gas	659.05	J/mol×K	869.99	Joback Calculated Property
Cp,gas	673.41	J/mol×K	915.38	Joback Calculated Property
Cp,gas	686.53	J/mol×K	960.78	Joback Calculated Property
Cp,gas	698.63	J/mol×K	1006.17	Joback Calculated Property
Cp,solid	316.70	J/mol×K	298.50	NIST
η	[0.0000827; 0.0015538]	Pa×s	[396.84; 733.81]
η	0.0015538	Pa×s	396.84	Joback Calculated Property
η	0.0007039	Pa×s	453.00	Joback Calculated Property
η	0.0003798	Pa×s	509.16	Joback Calculated Property
η	0.0002316	Pa×s	565.33	Joback Calculated Property
η	0.0001545	Pa×s	621.49	Joback Calculated Property
η	0.0001102	Pa×s	677.65	Joback Calculated Property
η	0.0000827	Pa×s	733.81	Joback Calculated Property
ΔfusH	19.95	kJ/mol	375.90	NIST
ΔsubH	105.40 ± 0.90	kJ/mol	350.50	NIST

Similar Compounds

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

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
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