Chemical Properties of 1,8-Dihydro-as-indacene

InChI

InChI=1S/C12H10/c1-3-9-7-8-10-4-2-6-12(10)11(9)5-1/h1-3,5-7H,4,8H2

InChI Key

LHBLJJVZXVGWMH-UHFFFAOYSA-N

Formula

C12H10

SMILES

C1=CC2=CCC3=C(C=CC3)C2=C1

Molecular Weight¹

154.21

• 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°	16.28	kJ/mol	Joback Calculated Property
logPoct/wat	3.069		Crippen Calculated Property
McVol	125.860	ml/mol	McGowan Calculated Property
Inp	[255.00; 255.10]
Inp	255.00		NIST
Inp	255.10		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	[146.08; 394.33]	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			-9.58300e+01
Coefficient B			1.12920e+00
Coefficient C			-9.84840e-04
Coefficient D			3.45800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	146.08	J/mol×K	273.00	Calculated Property
Cp,gas	195.71	J/mol×K	353.78	Calculated Property
Cp,gas	237.27	J/mol×K	434.56	Calculated Property
Cp,gas	271.87	J/mol×K	515.33	Calculated Property
Cp,gas	300.59	J/mol×K	596.11	Calculated Property
Cp,gas	324.53	J/mol×K	676.89	Calculated Property
Cp,gas	344.78	J/mol×K	757.67	Calculated Property
Cp,gas	362.43	J/mol×K	838.44	Calculated Property
Cp,gas	378.58	J/mol×K	919.22	Calculated Property
Cp,gas	394.33	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014227; 0.0007198]	Pa×s	[334.86; 544.70]	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			-8.32367e+00
Coefficient B			5.92180e+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.			334.86
Temperature range, max.			544.70
η	0.0014227	Pa×s	334.86	Calculated Property
η	0.0012680	Pa×s	358.18	Calculated Property
η	0.0011461	Pa×s	381.49	Calculated Property
η	0.0010481	Pa×s	404.81	Calculated Property
η	0.0009678	Pa×s	428.12	Calculated Property
η	0.0009011	Pa×s	451.44	Calculated Property
η	0.0008449	Pa×s	474.75	Calculated Property
η	0.0007969	Pa×s	498.07	Calculated Property
η	0.0007557	Pa×s	521.39	Calculated Property
η	0.0007198	Pa×s	544.70	Calculated Property

Similar Compounds

Find more compounds similar to 1,8-Dihydro-as-indacene.

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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