Chemical Properties of 6-ethoxy-dihydroindole

InChI

InChI=1S/C10H13NO/c1-2-12-9-4-3-8-5-6-11-10(8)7-9/h3-4,7,11H,2,5-6H2,1H3

InChI Key

VNQYYRLBJAYXLB-UHFFFAOYSA-N

Formula

C10H13NO

SMILES

CCOc1ccc2c(c1)NCC2

Molecular Weight¹

163.22

• 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	22.76	kJ/mol	Joback Calculated Property
ΔvapH°	72.49	kJ/mol	Relay (1.0) Calculated Property
IE	7.29	eV	Relay (1.0) Calculated Property
log10WS	-2.77		Relay (1.0) Calculated Property
logPoct/wat	2.053		Crippen Calculated Property
McVol	132.990	ml/mol	McGowan Calculated Property
Inp	[1565.00; 1572.00]
Inp	1565.00		NIST
Inp	1572.00		NIST
Inp	1565.00		NIST
Ip	[2424.00; 2434.00]
Ip	2424.00		NIST
Ip	2434.00		NIST
Tboil	562.46	K	Relay (1.0) Calculated Property
Tfus	349.01	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	[172.27; 433.43]	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			-2.52690e+01
Coefficient B			8.56720e-01
Coefficient C			-5.21320e-04
Coefficient D			1.23300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	172.27	J/mol×K	273.00	Calculated Property
Cp,gas	218.03	J/mol×K	353.78	Calculated Property
Cp,gas	258.70	J/mol×K	434.56	Calculated Property
Cp,gas	294.66	J/mol×K	515.33	Calculated Property
Cp,gas	326.30	J/mol×K	596.11	Calculated Property
Cp,gas	354.02	J/mol×K	676.89	Calculated Property
Cp,gas	378.20	J/mol×K	757.67	Calculated Property
Cp,gas	399.24	J/mol×K	838.44	Calculated Property
Cp,gas	417.52	J/mol×K	919.22	Calculated Property
Cp,gas	433.43	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 6-ethoxy-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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