Chemical Properties of Pyrene, 1,3-dimethyl-

InChI

InChI=1S/C18H14/c1-11-10-12(2)16-9-7-14-5-3-4-13-6-8-15(11)18(16)17(13)14/h3-10H,1-2H3

InChI Key

UWCWYAZCQUDPOX-UHFFFAOYSA-N

Formula

C18H14

SMILES

Cc1cc(C)c2ccc3cccc4ccc1c2c43

Molecular Weight¹

230.31

• 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).
• 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[233.54; 572.67]	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			-8.20500e+01
Coefficient B			1.46104e+00
Coefficient C			-1.23412e-03
Coefficient D			4.27800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	233.54	J/mol×K	273.00	Calculated Property
Cp,gas	299.31	J/mol×K	353.78	Calculated Property
Cp,gas	354.91	J/mol×K	434.56	Calculated Property
Cp,gas	401.68	J/mol×K	515.33	Calculated Property
Cp,gas	440.97	J/mol×K	596.11	Calculated Property
Cp,gas	474.14	J/mol×K	676.89	Calculated Property
Cp,gas	502.54	J/mol×K	757.67	Calculated Property
Cp,gas	527.53	J/mol×K	838.44	Calculated Property
Cp,gas	550.46	J/mol×K	919.22	Calculated Property
Cp,gas	572.67	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0019651; 0.0013511]	Pa×s	[473.50; 667.64]	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			-7.52057e+00
Coefficient B			6.10040e+02
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.			473.50
Temperature range, max.			667.64
η	0.0019651	Pa×s	473.50	Calculated Property
η	0.0018578	Pa×s	495.07	Calculated Property
η	0.0017647	Pa×s	516.64	Calculated Property
η	0.0016831	Pa×s	538.21	Calculated Property
η	0.0016112	Pa×s	559.78	Calculated Property
η	0.0015473	Pa×s	581.35	Calculated Property
η	0.0014903	Pa×s	602.92	Calculated Property
η	0.0014391	Pa×s	624.49	Calculated Property
η	0.0013929	Pa×s	646.07	Calculated Property
η	0.0013511	Pa×s	667.64	Calculated Property

Similar Compounds

Find more compounds similar to Pyrene, 1,3-dimethyl-.

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.