Chemical Properties of 1,2,3,10a-Tetrahydrophenanthrene

InChI

InChI=1S/C14H14/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1,3,5,7-10,12H,2,4,6H2

InChI Key

HJBQLPMMTTXLSH-UHFFFAOYSA-N

Formula

C14H14

SMILES

C1=CC2CCCC=C2c2ccccc21

Molecular Weight¹

182.27

• 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).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	18.72	kJ/mol	Joback Calculated Property
logPoct/wat	3.897		Crippen Calculated Property
McVol	154.040	ml/mol	McGowan Calculated Property
Inp	[316.17; 316.17]
Inp	316.17		NIST
Inp	316.17		NIST

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	[178.44; 510.77]	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			-1.16250e+02
Coefficient B			1.33300e+00
Coefficient C			-1.01248e-03
Coefficient D			3.06500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	178.44	J/mol×K	273.00	Calculated Property
Cp,gas	242.19	J/mol×K	353.78	Calculated Property
Cp,gas	296.97	J/mol×K	434.56	Calculated Property
Cp,gas	343.75	J/mol×K	515.33	Calculated Property
Cp,gas	383.51	J/mol×K	596.11	Calculated Property
Cp,gas	417.20	J/mol×K	676.89	Calculated Property
Cp,gas	445.81	J/mol×K	757.67	Calculated Property
Cp,gas	470.29	J/mol×K	838.44	Calculated Property
Cp,gas	491.62	J/mol×K	919.22	Calculated Property
Cp,gas	510.77	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0018594; 0.0005124]	Pa×s	[333.60; 580.57]	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			-9.31753e+00
Coefficient B			1.01081e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			333.60
Temperature range, max.			580.57
η	0.0018594	Pa×s	333.60	Calculated Property
η	0.0014769	Pa×s	361.04	Calculated Property
η	0.0012119	Pa×s	388.48	Calculated Property
η	0.0010207	Pa×s	415.92	Calculated Property
η	0.0008782	Pa×s	443.36	Calculated Property
η	0.0007689	Pa×s	470.81	Calculated Property
η	0.0006831	Pa×s	498.25	Calculated Property
η	0.0006145	Pa×s	525.69	Calculated Property
η	0.0005586	Pa×s	553.13	Calculated Property
η	0.0005124	Pa×s	580.57	Calculated Property

Similar Compounds

Find more compounds similar to 1,2,3,10a-Tetrahydrophenanthrene.

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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