Chemical Properties of 1H-Indole, 2,3-dimethyl- (CAS 91-55-4)

InChI

InChI=1S/C10H11N/c1-7-8(2)11-10-6-4-3-5-9(7)10/h3-6,11H,1-2H3

InChI Key

PYFVEIDRTLBMHG-UHFFFAOYSA-N

Formula

C10H11N

SMILES

Cc1[nH]c2ccccc2c1C

Molecular Weight¹

145.20

CAS

91-55-4

Other Names

• 2,3-Dimethylindole
• 2,3-dimethyl-1H-indole
• Indole, 2,3-dimethyl-

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation 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_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°solid	-5511.37 ± 0.79	kJ/mol	NIST
ΔfH°solid	4.23 ± 0.96	kJ/mol	NIST
log10WS	-3.45		Crippen Calculated Property
logPoct/wat	2.303		Crippen Calculated Property
McVol	122.820	ml/mol	McGowan Calculated Property
Inp	[255.48; 1499.00]
Inp	1476.00		NIST
Inp	1484.00		NIST
Inp	1499.00		NIST
Inp	1490.30		NIST
Inp	257.32		NIST
Inp	255.48		NIST
Inp	1490.30		NIST
I	[2502.00; 2539.00]
I	2502.00		NIST
I	2539.00		NIST
Tboil	558.20	K	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.16; 202.63]	kPa	[378.65; 592.18]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.47323e+01
Coefficient B			-4.67147e+03
Coefficient C			-9.63160e+01
Temperature range, min.			378.65
Temperature range, max.			592.18
Pvap	0.16	kPa	378.65	Calculated Property
Pvap	0.59	kPa	402.38	Calculated Property
Pvap	1.76	kPa	426.10	Calculated Property
Pvap	4.56	kPa	449.83	Calculated Property
Pvap	10.47	kPa	473.55	Calculated Property
Pvap	21.79	kPa	497.28	Calculated Property
Pvap	41.78	kPa	521.00	Calculated Property
Pvap	74.78	kPa	544.73	Calculated Property
Pvap	126.22	kPa	568.45	Calculated Property
Pvap	202.63	kPa	592.18	Calculated Property

Similar Compounds

Find more compounds similar to 1H-Indole, 2,3-dimethyl-.

Sources

• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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