Chemical Properties of 1H-Indole, 1-ethyl- (CAS 10604-59-8)

InChI

InChI=1S/C10H11N/c1-2-11-8-7-9-5-3-4-6-10(9)11/h3-8H,2H2,1H3

InChI Key

QRRKZFCXXBFHSV-UHFFFAOYSA-N

Formula

C10H11N

SMILES

CCn1ccc2ccccc21

Molecular Weight¹

145.20

CAS

10604-59-8

Other Names

• 1-Ethyl-1H-indole
• 1-Ethylindole
• Indole, 1-ethyl-
• N-Ethylindole

• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	98.83	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	66.98	kJ/mol	Relay (1.0) Calculated Property
IE	7.57	eV	Relay (1.0) Calculated Property
logPoct/wat	2.661		Crippen Calculated Property
McVol	122.820	ml/mol	McGowan Calculated Property
Inp	[1310.00; 1356.00]
Inp	1340.00		NIST
Inp	1356.00		NIST
Inp	1310.00		NIST
Inp	1340.00		NIST
Inp	1310.00		NIST
I	[2020.00; 2036.00]
I	2020.00		NIST
I	2036.00		NIST
I	2020.00		NIST
Tfus	270.63	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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
Pvap	[0.69; 202.65]	kPa	[378.15; 601.46]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.27222e+01
Coefficient B			-3.81046e+03
Coefficient C			-8.72810e+01
Temperature range, min.			378.15
Temperature range, max.			601.46
Pvap	0.69	kPa	378.15	Calculated Property
Pvap	1.92	kPa	402.96	Calculated Property
Pvap	4.62	kPa	427.77	Calculated Property
Pvap	9.89	kPa	452.59	Calculated Property
Pvap	19.20	kPa	477.40	Calculated Property
Pvap	34.43	kPa	502.21	Calculated Property
Pvap	57.80	kPa	527.02	Calculated Property
Pvap	91.82	kPa	551.84	Calculated Property
Pvap	139.17	kPa	576.65	Calculated Property
Pvap	202.65	kPa	601.46	Calculated Property

Similar Compounds

Find more compounds similar to 1H-Indole, 1-ethyl-.

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

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.
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