Chemical Properties of Benz[e]indan

InChI

InChI=1S/C13H12/c1-2-6-12-10(4-1)8-9-11-5-3-7-13(11)12/h1-2,4,6,8-9H,3,5,7H2

InChI Key

HQYLCMKCKULOEV-UHFFFAOYSA-N

Formula

C13H12

SMILES

c1ccc2c3c(ccc2c1)CCC3

Molecular Weight¹

168.24

Other Names

• 2,3-dihydro-1H-benz[e]indene
• 1h-Benz[e]indene, 2,3-dihydro-

• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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

Property	Value	Unit	Source
ω	0.4340		Relay (1.0) Calculated Property
ΔfH°gas	134.05	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	16.77	kJ/mol	Joback Calculated Property
ΔvapH°	72.28	kJ/mol	Relay (1.0) Calculated Property
IE	7.84	eV	Relay (1.0) Calculated Property
log10WS	-4.70		Relay (1.0) Calculated Property
logPoct/wat	3.329		Crippen Calculated Property
McVol	139.950	ml/mol	McGowan Calculated Property
Pc	3239.34	kPa	Joback Calculated Property
Inp	[1578.00; 1578.00]
Inp	1578.00		NIST
Inp	1578.00		NIST
Tboil	573.74	K	Relay (1.0) Calculated Property
Tc	828.06	K	Relay (1.0) Calculated Property
Tfus	285.86	K	Relay (1.0) Calculated Property
Vc	0.535	m3/kmol	Relay (1.0) Calculated Property

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.

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[368.00; 567.50]	K	[0.01; 101.00]
Tboilr	368.00 ± 5.00	K	0.01	NIST
Tboilr	567.50 ± 0.50	K	101.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[162.40; 447.70]	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			-1.01860e+02
Coefficient B			1.21460e+00
Coefficient C			-9.92840e-04
Coefficient D			3.27800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	162.40	J/mol×K	273.00	Calculated Property
Cp,gas	218.09	J/mol×K	353.78	Calculated Property
Cp,gas	265.36	J/mol×K	434.56	Calculated Property
Cp,gas	305.26	J/mol×K	515.33	Calculated Property
Cp,gas	338.81	J/mol×K	596.11	Calculated Property
Cp,gas	367.05	J/mol×K	676.89	Calculated Property
Cp,gas	391.03	J/mol×K	757.67	Calculated Property
Cp,gas	411.77	J/mol×K	838.44	Calculated Property
Cp,gas	430.31	J/mol×K	919.22	Calculated Property
Cp,gas	447.70	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0016474; 0.0005836]	Pa×s	[342.61; 566.48]	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			-9.03461e+00
Coefficient B			8.99710e+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.			342.61
Temperature range, max.			566.48
η	0.0016474	Pa×s	342.61	Calculated Property
η	0.0013791	Pa×s	367.48	Calculated Property
η	0.0011808	Pa×s	392.36	Calculated Property
η	0.0010300	Pa×s	417.23	Calculated Property
η	0.0009123	Pa×s	442.11	Calculated Property
η	0.0008186	Pa×s	466.98	Calculated Property
η	0.0007426	Pa×s	491.86	Calculated Property
η	0.0006800	Pa×s	516.73	Calculated Property
η	0.0006277	Pa×s	541.61	Calculated Property
η	0.0005836	Pa×s	566.48	Calculated Property

Similar Compounds

Find more compounds similar to Benz[e]indan.

Sources

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

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