Chemical Properties of 1,2,4-Metheno, 1H-indene

InChI

InChI=1S/C10H6/c1-2-5-7-4-8-9(5)10(8)6(7)3-1/h1-4,9-10H

InChI Key

ZKOZJNMUXZLEPP-UHFFFAOYSA-N

Formula

C10H6

SMILES

C1=C2C3c4cccc(c41)C23

Molecular Weight¹

126.16

• 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°	19.59	kJ/mol	Joback Calculated Property
logPoct/wat	2.278		Crippen Calculated Property
McVol	91.120	ml/mol	McGowan Calculated Property
Inp	[1365.00; 1365.00]
Inp	1365.00		NIST
Inp	1365.00		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	[113.41; 299.95]	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			-1.20490e+02
Coefficient B			1.16760e+00
Coefficient C			-1.28556e-03
Coefficient D			5.38400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	113.41	J/mol×K	273.00	Calculated Property
Cp,gas	155.52	J/mol×K	353.78	Calculated Property
Cp,gas	188.32	J/mol×K	434.56	Calculated Property
Cp,gas	213.49	J/mol×K	515.33	Calculated Property
Cp,gas	232.76	J/mol×K	596.11	Calculated Property
Cp,gas	247.81	J/mol×K	676.89	Calculated Property
Cp,gas	260.35	J/mol×K	757.67	Calculated Property
Cp,gas	272.09	J/mol×K	838.44	Calculated Property
Cp,gas	284.72	J/mol×K	919.22	Calculated Property
Cp,gas	299.95	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010039; 0.0031435]	Pa×s	[342.86; 485.69]	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			-3.02246e+00
Coefficient B			-1.33076e+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.			342.86
Temperature range, max.			485.69
η	0.0010039	Pa×s	342.86	Calculated Property
η	0.0011920	Pa×s	358.73	Calculated Property
η	0.0013949	Pa×s	374.60	Calculated Property
η	0.0016115	Pa×s	390.47	Calculated Property
η	0.0018410	Pa×s	406.34	Calculated Property
η	0.0020821	Pa×s	422.21	Calculated Property
η	0.0023340	Pa×s	438.08	Calculated Property
η	0.0025955	Pa×s	453.95	Calculated Property
η	0.0028656	Pa×s	469.82	Calculated Property
η	0.0031435	Pa×s	485.69	Calculated Property

Similar Compounds

Find more compounds similar to 1,2,4-Metheno, 1H-indene.

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

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.
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