Chemical Properties of 3,4,4a,9a-Tetrahydrofluorene (CAS 52652-40-1)

InChI

InChI=1S/C13H14/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h1-3,5-7,11,13H,4,8-9H2

InChI Key

FQADUXRTNGLZSX-UHFFFAOYSA-N

Formula

C13H14

SMILES

C1=CC2Cc3ccccc3C2CC1

Molecular Weight¹

170.25

CAS

52652-40-1

Other Names

• 1,4,4a,9a-tetrahydrofluorene

• 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).
• 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, Enthalpy of vaporization 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[168.30; 498.40]	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			-1.26360e+02
Coefficient B			1.33660e+00
Coefficient C			-1.02884e-03
Coefficient D			3.17000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	168.30	J/mol×K	273.00	Calculated Property
Cp,gas	231.77	J/mol×K	353.78	Calculated Property
Cp,gas	286.20	J/mol×K	434.56	Calculated Property
Cp,gas	332.59	J/mol×K	515.33	Calculated Property
Cp,gas	371.95	J/mol×K	596.11	Calculated Property
Cp,gas	405.29	J/mol×K	676.89	Calculated Property
Cp,gas	433.60	J/mol×K	757.67	Calculated Property
Cp,gas	457.89	J/mol×K	838.44	Calculated Property
Cp,gas	479.15	J/mol×K	919.22	Calculated Property
Cp,gas	498.40	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0016778; 0.0007105]	Pa×s	[308.33; 550.25]	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			-8.34470e+00
Coefficient B			6.02610e+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.			308.33
Temperature range, max.			550.25
η	0.0016778	Pa×s	308.33	Calculated Property
η	0.0014344	Pa×s	335.21	Calculated Property
η	0.0012552	Pa×s	362.09	Calculated Property
η	0.0011188	Pa×s	388.97	Calculated Property
η	0.0010122	Pa×s	415.85	Calculated Property
η	0.0009270	Pa×s	442.73	Calculated Property
η	0.0008575	Pa×s	469.61	Calculated Property
η	0.0007999	Pa×s	496.49	Calculated Property
η	0.0007516	Pa×s	523.37	Calculated Property
η	0.0007105	Pa×s	550.25	Calculated Property

Similar Compounds

Find more compounds similar to 3,4,4a,9a-Tetrahydrofluorene.

Sources

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

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