Chemical Properties of Benz[e]indan (CAS 4944-94-9)

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

168.23

CAS

4944-94-9

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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[326.11; 404.51]	J/mol×K	[563.87; 808.97]
Cp,gas	326.11	J/mol×K	563.87	Joback Calculated Property
Cp,gas	342.05	J/mol×K	604.72	Joback Calculated Property
Cp,gas	356.67	J/mol×K	645.57	Joback Calculated Property
Cp,gas	370.08	J/mol×K	686.42	Joback Calculated Property
Cp,gas	382.44	J/mol×K	727.27	Joback Calculated Property
Cp,gas	393.87	J/mol×K	768.12	Joback Calculated Property
Cp,gas	404.51	J/mol×K	808.97	Joback Calculated Property
η	[0.0005879; 0.0016474]	Pa×s	[342.61; 563.87]
η	0.0016474	Pa×s	342.61	Joback Calculated Property
η	0.0012763	Pa×s	379.49	Joback Calculated Property
η	0.0010346	Pa×s	416.36	Joback Calculated Property
η	0.0008678	Pa×s	453.24	Joback Calculated Property
η	0.0007474	Pa×s	490.12	Joback Calculated Property
η	0.0006573	Pa×s	526.99	Joback Calculated Property
η	0.0005879	Pa×s	563.87	Joback Calculated Property

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

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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