Chemical Properties of 6-isopropoxy-dihydroindole

InChI

InChI=1S/C11H15NO/c1-8(2)13-10-4-3-9-5-6-12-11(9)7-10/h3-4,7-8,12H,5-6H2,1-2H3

InChI Key

OMBWDBZPCCLAJF-UHFFFAOYSA-N

Formula

C11H15NO

SMILES

CC(C)Oc1ccc2c(c1)NCC2

Molecular Weight¹

177.24

• 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.
• I_p : 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
ΔfusH°	21.83	kJ/mol	Joback Calculated Property
ΔvapH°	72.65	kJ/mol	Relay (1.0) Calculated Property
IE	7.45	eV	Relay (1.0) Calculated Property
log10WS	-2.78		Relay (1.0) Calculated Property
logPoct/wat	2.442		Crippen Calculated Property
McVol	147.080	ml/mol	McGowan Calculated Property
Inp	[1577.00; 1595.00]
Inp	1577.00		NIST
Inp	1589.00		NIST
Inp	1595.00		NIST
Inp	1577.00		NIST
Ip	[2389.00; 2399.00]
Ip	2389.00		NIST
Ip	2399.00		NIST
Ip	2389.00		NIST
Tboil	560.38	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, 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	[193.17; 485.56]	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			-2.78600e+01
Coefficient B			9.57640e-01
Coefficient C			-5.78920e-04
Coefficient D			1.34700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	193.17	J/mol×K	273.00	Calculated Property
Cp,gas	244.44	J/mol×K	353.78	Calculated Property
Cp,gas	290.02	J/mol×K	434.56	Calculated Property
Cp,gas	330.34	J/mol×K	515.33	Calculated Property
Cp,gas	365.81	J/mol×K	596.11	Calculated Property
Cp,gas	396.88	J/mol×K	676.89	Calculated Property
Cp,gas	423.96	J/mol×K	757.67	Calculated Property
Cp,gas	447.49	J/mol×K	838.44	Calculated Property
Cp,gas	467.88	J/mol×K	919.22	Calculated Property
Cp,gas	485.56	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 6-isopropoxy-dihydroindole.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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