Chemical Properties of 1H-Benz[e]indene (CAS 232-54-2)

InChI

InChI=1S/C13H10/c1-2-6-12-10(4-1)8-9-11-5-3-7-13(11)12/h1-6,8-9H,7H2

InChI Key

KXYGKDBONOVZOM-UHFFFAOYSA-N

Formula

C13H10

SMILES

C1=Cc2ccc3ccccc3c2C1

Molecular Weight¹

166.22

CAS

232-54-2

• ω : Acentric Factor.
• 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).
• 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 for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[155.93; 416.40]	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			-9.40800e+01
Coefficient B			1.15860e+00
Coefficient C			-9.80120e-04
Coefficient D			3.32000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	155.93	J/mol×K	273.00	Calculated Property
Cp,gas	207.84	J/mol×K	353.78	Calculated Property
Cp,gas	251.56	J/mol×K	434.56	Calculated Property
Cp,gas	288.13	J/mol×K	515.33	Calculated Property
Cp,gas	318.62	J/mol×K	596.11	Calculated Property
Cp,gas	344.06	J/mol×K	676.89	Calculated Property
Cp,gas	365.51	J/mol×K	757.67	Calculated Property
Cp,gas	384.01	J/mol×K	838.44	Calculated Property
Cp,gas	400.63	J/mol×K	919.22	Calculated Property
Cp,gas	416.40	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014835; 0.0005882]	Pa×s	[343.37; 567.68]	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			-8.85467e+00
Coefficient B			8.03950e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			343.37
Temperature range, max.			567.68
η	0.0014835	Pa×s	343.37	Calculated Property
η	0.0012662	Pa×s	368.29	Calculated Property
η	0.0011026	Pa×s	393.22	Calculated Property
η	0.0009761	Pa×s	418.14	Calculated Property
η	0.0008760	Pa×s	443.06	Calculated Property
η	0.0007953	Pa×s	467.99	Calculated Property
η	0.0007291	Pa×s	492.91	Calculated Property
η	0.0006741	Pa×s	517.83	Calculated Property
η	0.0006277	Pa×s	542.75	Calculated Property
η	0.0005882	Pa×s	567.68	Calculated Property

Similar Compounds

Find more compounds similar to 1H-Benz[e]indene.

Sources

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

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