Chemical Properties of 1H-Indole, 2,3-dihydro-4-methyl- (CAS 62108-16-1)

InChI

InChI=1S/C9H11N/c1-7-3-2-4-9-8(7)5-6-10-9/h2-4,10H,5-6H2,1H3

InChI Key

BSRIUSPUGCAPHE-UHFFFAOYSA-N

Formula

C9H11N

SMILES

Cc1cccc2c1CCN2

Molecular Weight¹

133.19

CAS

62108-16-1

Other Names

• 4-Methylindoline

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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
ΔfusH°	18.98	kJ/mol	Joback Calculated Property
ΔvapH°	65.12	kJ/mol	Relay (1.0) Calculated Property
IE	7.39	eV	Relay (1.0) Calculated Property
log10WS	-1.90		Relay (1.0) Calculated Property
logPoct/wat	1.963		Crippen Calculated Property
McVol	113.030	ml/mol	McGowan Calculated Property
Inp	[1479.00; 1479.00]
Inp	1479.00		NIST
Inp	1479.00		NIST
Tboil	522.35	K	Relay (1.0) Calculated Property
Tfus	293.57	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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	[135.65; 363.34]	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			-4.98600e+01
Coefficient B			8.24920e-01
Coefficient C			-5.77920e-04
Coefficient D			1.66200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	135.65	J/mol×K	273.00	Calculated Property
Cp,gas	177.01	J/mol×K	353.78	Calculated Property
Cp,gas	213.12	J/mol×K	434.56	Calculated Property
Cp,gas	244.52	J/mol×K	515.33	Calculated Property
Cp,gas	271.73	J/mol×K	596.11	Calculated Property
Cp,gas	295.27	J/mol×K	676.89	Calculated Property
Cp,gas	315.68	J/mol×K	757.67	Calculated Property
Cp,gas	333.48	J/mol×K	838.44	Calculated Property
Cp,gas	349.19	J/mol×K	919.22	Calculated Property
Cp,gas	363.34	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 1H-Indole, 2,3-dihydro-4-methyl-.

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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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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