Chemical Properties of 1,2,3,4-Tetrahydrochrysene (CAS 2091-90-9)

InChI

InChI=1S/C18H16/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18/h1,3,5,7,9-12H,2,4,6,8H2

InChI Key

YMLBMIKSAYQNNI-UHFFFAOYSA-N

Formula

C18H16

SMILES

c1ccc2c(c1)ccc1c3c(ccc12)CCCC3

Molecular Weight¹

232.32

CAS

2091-90-9

Other Names

• Chrysene, 1,2,3,4-tetrahydro-
• 1,2,3,4-tetrahydrocrysene

• 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

Cheméo can also estimate Standard Gibbs free energy of formation, Acentric Factor 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[225.13; 613.61]	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			-1.28670e+02
Coefficient B			1.61680e+00
Coefficient C			-1.28812e-03
Coefficient D			4.13600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	225.13	J/mol×K	273.00	Calculated Property
Cp,gas	300.41	J/mol×K	353.78	Calculated Property
Cp,gas	364.61	J/mol×K	434.56	Calculated Property
Cp,gas	419.04	J/mol×K	515.33	Calculated Property
Cp,gas	465.00	J/mol×K	596.11	Calculated Property
Cp,gas	503.81	J/mol×K	676.89	Calculated Property
Cp,gas	536.76	J/mol×K	757.67	Calculated Property
Cp,gas	565.18	J/mol×K	838.44	Calculated Property
Cp,gas	590.36	J/mol×K	919.22	Calculated Property
Cp,gas	613.61	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0018601; 0.0007016]	Pa×s	[440.66; 675.74]	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			-9.08986e+00
Coefficient B			1.23506e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			440.66
Temperature range, max.			675.74
η	0.0018601	Pa×s	440.66	Calculated Property
η	0.0015901	Pa×s	466.78	Calculated Property
η	0.0013821	Pa×s	492.90	Calculated Property
η	0.0012183	Pa×s	519.02	Calculated Property
η	0.0010871	Pa×s	545.14	Calculated Property
η	0.0009801	Pa×s	571.26	Calculated Property
η	0.0008917	Pa×s	597.38	Calculated Property
η	0.0008177	Pa×s	623.50	Calculated Property
η	0.0007551	Pa×s	649.62	Calculated Property
η	0.0007016	Pa×s	675.74	Calculated Property

Similar Compounds

Find more compounds similar to 1,2,3,4-Tetrahydrochrysene.

Sources

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

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