Chemical Properties of 2,5-dimethyl-4-(1-pyrrolidinyl)-3(2H)-furanone

InChI

InChI=1S/C10H15NO2/c1-7-9(10(12)8(2)13-7)11-5-3-4-6-11/h8H,3-6H2,1-2H3

InChI Key

FRPGHNBHIDMQGT-UHFFFAOYSA-N

Formula

C10H15NO2

SMILES

CC1=C(N2CCCC2)C(=O)C(C)O1

Molecular Weight¹

181.23

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I : 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	0.4523		Relay (1.0) Calculated Property
ΔfG°	-61.60	kJ/mol	Relay (1.0-beta) Calculated Property ⚠️
ΔfH°gas	-300.99	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	64.82	kJ/mol	Relay (1.0) Calculated Property
IE	7.60	eV	Relay (1.0) Calculated Property
log10WS	-1.27		Relay (1.0) Calculated Property
logPoct/wat	1.301		Crippen Calculated Property
McVol	143.160	ml/mol	McGowan Calculated Property
Pc	2558.53	kPa	Relay (1.0-beta) Calculated Property ⚠️
I	[1842.00; 1842.00]
I	1842.00		NIST
I	1842.00		NIST
Tboil	517.43	K	Relay (1.0) Calculated Property
Tc	754.62	K	Relay (1.0) Calculated Property
Tfus	369.65	K	Relay (1.0) Calculated Property
Vc	0.524	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 2,5-dimethyl-4-(1-pyrrolidinyl)-3(2H)-furanone.

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

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