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_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).
• 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_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
ΔfG°	274.22	kJ/mol	Joback Calculated Property
ΔfH°gas	115.45	kJ/mol	Joback Calculated Property
ΔfusH°	18.98	kJ/mol	Joback Calculated Property
ΔvapH°	46.21	kJ/mol	Joback Calculated Property
log10WS	-2.24		Crippen Calculated Property
logPoct/wat	1.963		Crippen Calculated Property
McVol	113.030	ml/mol	McGowan Calculated Property
Pc	3940.66	kPa	Joback Calculated Property
Inp	[1479.00; 1479.00]
Inp	1479.00		NIST
Inp	1479.00		NIST
Tboil	501.92	K	Joback Calculated Property
Tc	736.54	K	Joback Calculated Property
Tfus	369.86	K	Joback Calculated Property
Vc	0.426	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[239.61; 310.62]	J/mol×K	[501.92; 736.54]
Cp,gas	239.61	J/mol×K	501.92	Joback Calculated Property
Cp,gas	253.60	J/mol×K	541.02	Joback Calculated Property
Cp,gas	266.65	J/mol×K	580.13	Joback Calculated Property
Cp,gas	278.82	J/mol×K	619.23	Joback Calculated Property
Cp,gas	290.16	J/mol×K	658.33	Joback Calculated Property
Cp,gas	300.74	J/mol×K	697.44	Joback Calculated Property
Cp,gas	310.62	J/mol×K	736.54	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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