Chemical Properties of 1,6,11-trimethyltriphenylene

InChI

InChI=1S/C21H18/c1-13-7-9-16-17-10-8-14(2)12-20(17)21-15(3)5-4-6-18(21)19(16)11-13/h4-12H,1-3H3

InChI Key

AXGDCLUIYAPEOP-UHFFFAOYSA-N

Formula

C21H18

SMILES

Cc1ccc2c(c1)c1cccc(C)c1c1cc(C)ccc21

Molecular Weight¹

270.37

• 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).
• 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).
• I_np : Non-polar retention indices.
• 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	0.6216		Relay (1.0) Calculated Property
ΔfG°	510.15	kJ/mol	Joback Calculated Property
ΔfH°gas	187.21	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	33.30	kJ/mol	Joback Calculated Property
ΔvapH°	117.11	kJ/mol	Relay (1.0) Calculated Property
IE	7.43	eV	Relay (1.0) Calculated Property
log10WS	-7.92		Relay (1.0) Calculated Property
logPoct/wat	6.071		Crippen Calculated Property
McVol	224.610	ml/mol	McGowan Calculated Property
Pc	1987.66	kPa	Joback Calculated Property
Inp	[446.24; 446.24]
Inp	446.24		NIST
Inp	446.24		NIST
Inp	446.24		NIST
Tboil	738.11	K	Relay (1.0) Calculated Property
Tc	1011.90	K	Relay (1.0) Calculated Property
Tfus	422.08	K	Relay (1.0) Calculated Property
Vc	0.851	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[623.87; 708.06]	J/mol×K	[788.40; 1036.95]
Cp,gas	623.87	J/mol×K	788.40	Joback Calculated Property
Cp,gas	639.68	J/mol×K	829.83	Joback Calculated Property
Cp,gas	654.57	J/mol×K	871.25	Joback Calculated Property
Cp,gas	668.68	J/mol×K	912.68	Joback Calculated Property
Cp,gas	682.20	J/mol×K	954.10	Joback Calculated Property
Cp,gas	695.27	J/mol×K	995.53	Joback Calculated Property
Cp,gas	708.06	J/mol×K	1036.95	Joback Calculated Property
η	[0.0006221; 0.0013788]	Pa×s	[513.55; 788.40]
η	0.0013788	Pa×s	513.55	Joback Calculated Property
η	0.0011437	Pa×s	559.36	Joback Calculated Property
η	0.0009759	Pa×s	605.17	Joback Calculated Property
η	0.0008516	Pa×s	650.98	Joback Calculated Property
η	0.0007565	Pa×s	696.78	Joback Calculated Property
η	0.0006819	Pa×s	742.59	Joback Calculated Property
η	0.0006221	Pa×s	788.40	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,6,11-trimethyltriphenylene.

Sources

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

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