Chemical Properties of 3-Ethyl-pyrrolidine

InChI

InChI=1S/C6H13N/c1-2-6-3-4-7-5-6/h6-7H,2-5H2,1H3

InChI Key

DZFFQSFNUBWNSF-UHFFFAOYSA-N

Formula

C6H13N

SMILES

CCC1CCNC1

Molecular Weight¹

99.18

Other Names

• Pyrrolidine, 3-ethyl

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion 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_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.3304		Relay (1.0) Calculated Property
ΔfG°	123.90	kJ/mol	Joback Calculated Property
ΔfH°gas	-65.94	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	14.82	kJ/mol	Joback Calculated Property
ΔvapH°	49.03	kJ/mol	Relay (1.0) Calculated Property
IE	7.99	eV	Relay (1.0) Calculated Property
logPoct/wat	1.006		Crippen Calculated Property
McVol	94.520	ml/mol	McGowan Calculated Property
Pc	3960.52	kPa	Joback Calculated Property
Inp	[841.00; 841.00]
Inp	841.00		NIST
Inp	841.00		NIST
Tboil	400.53	K	Relay (1.0) Calculated Property
Tc	594.51	K	Relay (1.0) Calculated Property
Tfus	221.79	K	Relay (1.0) Calculated Property
Vc	0.335	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[176.19; 252.48]	J/mol×K	[400.71; 605.91]
Cp,gas	176.19	J/mol×K	400.71	Joback Calculated Property
Cp,gas	190.51	J/mol×K	434.91	Joback Calculated Property
Cp,gas	204.16	J/mol×K	469.11	Joback Calculated Property
Cp,gas	217.16	J/mol×K	503.31	Joback Calculated Property
Cp,gas	229.54	J/mol×K	537.51	Joback Calculated Property
Cp,gas	241.31	J/mol×K	571.71	Joback Calculated Property
Cp,gas	252.48	J/mol×K	605.91	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Ethyl-pyrrolidine.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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