Chemical Properties of Triphenylmethyl chloride (CAS 76-83-5)

InChI

InChI=1S/C19H15Cl/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H

InChI Key

JBWKIWSBJXDJDT-UHFFFAOYSA-N

Formula

C19H15Cl

SMILES

ClC(c1ccccc1)(c1ccccc1)c1ccccc1

Molecular Weight¹

278.77

CAS

76-83-5

Other Names

• Benzene, 1,1',1''-(chloromethylidyne)tris-
• chlorotriphenylmethane
• methane, chlorotriphenyl-
• triphenylchloromethane
• trityl chloride

• 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_fusH : Enthalpy of fusion 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).
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4455		Relay (1.0) Calculated Property
ΔcH°solid	-9826.10	kJ/mol	NIST
ΔfH°gas	275.38	kJ/mol	Relay (1.0) Calculated Property
ΔfH°solid	183.00	kJ/mol	NIST
ΔfusH°	23.87	kJ/mol	Joback Calculated Property
ΔvapH°	90.64	kJ/mol	Relay (1.0) Calculated Property
IE	8.50	eV	Relay (1.0) Calculated Property
log10WS	-5.88		Relay (1.0) Calculated Property
logPoct/wat	5.217		Crippen Calculated Property
McVol	219.530	ml/mol	McGowan Calculated Property
Pc	2340.56	kPa	Joback Calculated Property
Tboil	633.79	K	Relay (1.0) Calculated Property
Tc	916.34	K	Relay (1.0) Calculated Property
Tfus	[381.00; 385.90]	K
Tfus	385.90	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	381.00 ± 4.00	K	NIST
Tfus	382.40 ± 0.50	K	NIST
Tfus	381.00 ± 4.00	K	NIST
Tfus	382.40 ± 0.50	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,solid	[311.70; 367.27]	J/mol×K	[298.15; 298.50]
Cp,solid	367.27	J/mol×K	298.15	NIST
Cp,solid	311.70	J/mol×K	298.50	NIST
ΔfusH	[27.90; 27.90]	kJ/mol	[376.80; 376.80]
ΔfusH	27.90	kJ/mol	376.80	NIST
ΔfusH	27.90	kJ/mol	376.80	NIST
ΔfusH	27.90	kJ/mol	376.80	NIST
ΔfusS	74.10	J/mol×K	376.80	NIST

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[248.72; 653.72]	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			-1.27680e+02
Coefficient B			1.70470e+00
Coefficient C			-1.29560e-03
Coefficient D			3.72300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	248.72	J/mol×K	273.00	Calculated Property
Cp,gas	329.73	J/mol×K	353.78	Calculated Property
Cp,gas	399.00	J/mol×K	434.56	Calculated Property
Cp,gas	457.69	J/mol×K	515.33	Calculated Property
Cp,gas	506.98	J/mol×K	596.11	Calculated Property
Cp,gas	548.06	J/mol×K	676.89	Calculated Property
Cp,gas	582.09	J/mol×K	757.67	Calculated Property
Cp,gas	610.26	J/mol×K	838.44	Calculated Property
Cp,gas	633.75	J/mol×K	919.22	Calculated Property
Cp,gas	653.72	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0023683; 0.0000963]	Pa×s	[382.54; 720.59]	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			-1.28726e+01
Coefficient B			2.61160e+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.			382.54
Temperature range, max.			720.59
η	0.0023683	Pa×s	382.54	Calculated Property
η	0.0012863	Pa×s	420.10	Calculated Property
η	0.0007723	Pa×s	457.66	Calculated Property
η	0.0005009	Pa×s	495.22	Calculated Property
η	0.0003454	Pa×s	532.79	Calculated Property
η	0.0002501	Pa×s	570.35	Calculated Property
η	0.0001885	Pa×s	607.91	Calculated Property
η	0.0001468	Pa×s	645.47	Calculated Property
η	0.0001175	Pa×s	683.03	Calculated Property
η	0.0000963	Pa×s	720.59	Calculated Property

Similar Compounds

Find more compounds similar to Triphenylmethyl chloride.

Mixtures

• Carbon dioxide + Triphenylmethyl chloride

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
• Solubility of Triphenylmethyl Chloride and Triphenyltin Chloride in Supercritical Carbon Dioxide
• Joback Method
• McGowan Method
• NIST Webbook

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