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_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
ΔfH°gas	187.21	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	33.30	kJ/mol	Joback Calculated Property
ΔvapH°	116.90	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	1013.79	K	Relay (1.0) Calculated Property
Tfus	411.57	K	Relay (1.0) Calculated Property
Vc	0.851	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,gas	[623.94; 708.14]	J/mol×K	[788.60; 1037.22]
Cp,gas	623.94	J/mol×K	788.60	Joback Calculated Property
Cp,gas	639.76	J/mol×K	830.04	Joback Calculated Property
Cp,gas	654.64	J/mol×K	871.47	Joback Calculated Property
Cp,gas	668.76	J/mol×K	912.91	Joback Calculated Property
Cp,gas	682.27	J/mol×K	954.34	Joback Calculated Property
Cp,gas	695.35	J/mol×K	995.78	Joback Calculated Property
Cp,gas	708.14	J/mol×K	1037.22	Joback Calculated Property
η	[0.0006219; 0.0013788]	Pa×s	[513.55; 788.60]
η	0.0013788	Pa×s	513.55	Joback Calculated Property
η	0.0011435	Pa×s	559.39	Joback Calculated Property
η	0.0009757	Pa×s	605.23	Joback Calculated Property
η	0.0008513	Pa×s	651.07	Joback Calculated Property
η	0.0007562	Pa×s	696.92	Joback Calculated Property
η	0.0006817	Pa×s	742.76	Joback Calculated Property
η	0.0006219	Pa×s	788.60	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

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.
These property values are available through the Cheméo API. A free account gives you an access key.