Chemical Properties of Pyrrolidine, 1-ethyl- (CAS 7335-06-0)

InChI

InChI=1S/C6H13N/c1-2-7-5-3-4-6-7/h2-6H2,1H3

InChI Key

ONQBOTKLCMXPOF-UHFFFAOYSA-N

Formula

C6H13N

SMILES

CCN1CCCC1

Molecular Weight¹

99.17

CAS

7335-06-0

Other Names

• 1-Ethyl-pyrrolidine
• N-ethyl-Tetrahydropyrrole

• 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).
• I_np : Non-polar retention indices.
• I : 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
ΔvapH°	38.16	kJ/mol	Relay (1.0) Calculated Property
IE	8.17	eV	Relay (1.0) Calculated Property
logPoct/wat	1.102		Crippen Calculated Property
McVol	94.520	ml/mol	McGowan Calculated Property
Inp	[750.00; 774.00]
Inp	774.00		NIST
Inp	761.00		NIST
Inp	751.00		NIST
Inp	751.00		NIST
Inp	750.00		NIST
Inp	753.00		NIST
Inp	751.00		NIST
Inp	774.00		NIST
I	[906.00; 930.00]
I	930.00		NIST
I	906.00		NIST
I	930.00		NIST
Tboil	372.69	K	Relay (1.0) Calculated Property
Tfus	165.46	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, 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.

Similar Compounds

Find more compounds similar to Pyrrolidine, 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

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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