Chemical Properties of 1-(dimethyl-2-furyl)-2-propanone

InChI

InChI=1S/C9H12O2/c1-6-4-8(3)11-9(6)5-7(2)10/h4H,5H2,1-3H3

InChI Key

NHRKAWBWWHOVHU-UHFFFAOYSA-N

Formula

C9H12O2

SMILES

CC(=O)Cc1oc(C)cc1C

Molecular Weight¹

152.19

• 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_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	0.4878		Relay (1.0) Calculated Property
ΔfG°	-116.34	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-326.24	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	53.96	kJ/mol	Relay (1.0) Calculated Property
IE	8.19	eV	Relay (1.0) Calculated Property
log10WS	-0.86		Relay (1.0) Calculated Property
logPoct/wat	2.028		Crippen Calculated Property
McVol	125.650	ml/mol	McGowan Calculated Property
Pc	3123.11	kPa	Relay (1.0-beta) Calculated Property
Inp	[1151.00; 1151.00]
Inp	1151.00		NIST
Inp	1151.00		NIST
Tboil	491.31	K	Relay (1.0) Calculated Property
Tc	693.36	K	Relay (1.0) Calculated Property
Tfus	286.47	K	Relay (1.0) Calculated Property
Vc	0.474	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 1-(dimethyl-2-furyl)-2-propanone.

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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