Chemical Properties of Chrysene-D12

InChI

InChI=1S/C18H12/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18/h1-12H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D

InChI Key

WDECIBYCCFPHNR-AQZSQYOVSA-N

Formula

C18D12

SMILES

[2H]c1c([2H])c([2H])c2c(c1[2H])c([2H])c([2H])c1c3c([2H])c([2H])c([2H])c([2H])c3c([2H])c([2H])c21

Molecular Weight¹

240.37

Other Names

• Chrysene - d
• Chrysene, perdeutero-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[212.18; 551.01]	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			-1.13110e+02
Coefficient B			1.50480e+00
Coefficient C			-1.26268e-03
Coefficient D			4.22000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	212.18	J/mol×K	273.00	Calculated Property
Cp,gas	279.90	J/mol×K	353.78	Calculated Property
Cp,gas	337.00	J/mol×K	434.56	Calculated Property
Cp,gas	384.79	J/mol×K	515.33	Calculated Property
Cp,gas	424.62	J/mol×K	596.11	Calculated Property
Cp,gas	457.82	J/mol×K	676.89	Calculated Property
Cp,gas	485.72	J/mol×K	757.67	Calculated Property
Cp,gas	509.67	J/mol×K	838.44	Calculated Property
Cp,gas	530.98	J/mol×K	919.22	Calculated Property
Cp,gas	551.01	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0018147; 0.0007984]	Pa×s	[442.18; 678.07]	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			-8.67183e+00
Coefficient B			1.04354e+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.			442.18
Temperature range, max.			678.07
η	0.0018147	Pa×s	442.18	Calculated Property
η	0.0015902	Pa×s	468.39	Calculated Property
η	0.0014131	Pa×s	494.60	Calculated Property
η	0.0012708	Pa×s	520.81	Calculated Property
η	0.0011544	Pa×s	547.02	Calculated Property
η	0.0010580	Pa×s	573.23	Calculated Property
η	0.0009771	Pa×s	599.44	Calculated Property
η	0.0009083	Pa×s	625.65	Calculated Property
η	0.0008494	Pa×s	651.86	Calculated Property
η	0.0007984	Pa×s	678.07	Calculated Property

Similar Compounds

Find more compounds similar to Chrysene-D12.

Sources

• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Enthalpies of Vaporization and Vapor Pressures of Some Deuterated Hydrocarbons. Liquid-Vapor Pressure Isotope Effects
• 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.