Chemical Properties of 1-(Phenylmethylene)-1H-indene

InChI

InChI=1S/C16H14/c1-2-6-13(7-3-1)12-15-11-10-14-8-4-5-9-16(14)15/h1-9,12H,10-11H2/b15-12+

InChI Key

QTWIKOMWVWPBRX-NTCAYCPXSA-N

Formula

C16H14

SMILES

C(=C1CCc2ccccc21)c1ccccc1

Molecular Weight¹

206.28

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	290.46	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	22.28	kJ/mol	Joback Calculated Property
ΔvapH°	83.88	kJ/mol	Relay (1.0) Calculated Property
IE	7.73	eV	Relay (1.0) Calculated Property
logPoct/wat	4.173		Crippen Calculated Property
McVol	173.620	ml/mol	McGowan Calculated Property
Inp	[308.80; 308.80]
Inp	308.80		NIST
Inp	308.80		NIST
Tboil	610.39	K	Relay (1.0) Calculated Property
Tfus	321.25	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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	[199.54; 543.79]	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			-1.10250e+02
Coefficient B			1.40640e+00
Coefficient C			-1.08606e-03
Coefficient D			3.33700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	199.54	J/mol×K	273.00	Calculated Property
Cp,gas	266.15	J/mol×K	353.78	Calculated Property
Cp,gas	323.20	J/mol×K	434.56	Calculated Property
Cp,gas	371.76	J/mol×K	515.33	Calculated Property
Cp,gas	412.88	J/mol×K	596.11	Calculated Property
Cp,gas	447.61	J/mol×K	676.89	Calculated Property
Cp,gas	477.01	J/mol×K	757.67	Calculated Property
Cp,gas	502.14	J/mol×K	838.44	Calculated Property
Cp,gas	524.05	J/mol×K	919.22	Calculated Property
Cp,gas	543.79	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0016108; 0.0003135]	Pa×s	[367.98; 628.34]	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			-1.03807e+01
Coefficient B			1.45341e+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.			367.98
Temperature range, max.			628.34
η	0.0016108	Pa×s	367.98	Calculated Property
η	0.0012079	Pa×s	396.91	Calculated Property
η	0.0009419	Pa×s	425.84	Calculated Property
η	0.0007580	Pa×s	454.77	Calculated Property
η	0.0006262	Pa×s	483.69	Calculated Property
η	0.0005285	Pa×s	512.62	Calculated Property
η	0.0004542	Pa×s	541.55	Calculated Property
η	0.0003964	Pa×s	570.48	Calculated Property
η	0.0003506	Pa×s	599.41	Calculated Property
η	0.0003135	Pa×s	628.34	Calculated Property

Similar Compounds

Find more compounds similar to 1-(Phenylmethylene)-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

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