Chemical Properties of Indane, 1-(2-phenylethyl)

InChI

InChI=1S/C17H18/c1-2-6-14(7-3-1)10-11-16-13-12-15-8-4-5-9-17(15)16/h1-9,16H,10-13H2

InChI Key

HHCVWDDVNPVAEC-UHFFFAOYSA-N

Formula

C17H18

SMILES

c1ccc(CCC2CCc3ccccc32)cc1

Molecular Weight¹

222.32

• 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).
• 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

Cheméo can also estimate 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, 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	[230.71; 636.02]	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			-1.16318e+02
Coefficient B			1.55240e+00
Coefficient C			-1.11656e-03
Coefficient D			3.16500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	230.71	J/mol×K	273.00	Calculated Property
Cp,gas	307.15	J/mol×K	353.78	Calculated Property
Cp,gas	373.41	J/mol×K	434.56	Calculated Property
Cp,gas	430.48	J/mol×K	515.33	Calculated Property
Cp,gas	479.36	J/mol×K	596.11	Calculated Property
Cp,gas	521.06	J/mol×K	676.89	Calculated Property
Cp,gas	556.57	J/mol×K	757.67	Calculated Property
Cp,gas	586.90	J/mol×K	838.44	Calculated Property
Cp,gas	613.05	J/mol×K	919.22	Calculated Property
Cp,gas	636.02	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0019234; 0.0003805]	Pa×s	[364.65; 627.37]	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			-1.01228e+01
Coefficient B			1.41090e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			364.65
Temperature range, max.			627.37
η	0.0019234	Pa×s	364.65	Calculated Property
η	0.0014439	Pa×s	393.84	Calculated Property
η	0.0011276	Pa×s	423.03	Calculated Property
η	0.0009092	Pa×s	452.22	Calculated Property
η	0.0007525	Pa×s	481.42	Calculated Property
η	0.0006364	Pa×s	510.61	Calculated Property
η	0.0005481	Pa×s	539.80	Calculated Property
η	0.0004793	Pa×s	568.99	Calculated Property
η	0.0004247	Pa×s	598.18	Calculated Property
η	0.0003805	Pa×s	627.37	Calculated Property

Similar Compounds

Find more compounds similar to Indane, 1-(2-phenylethyl).

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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