Chemical Properties of 1-[(2-methylL-3-furyl)dithio]-2-propanone

InChI

InChI=1S/C8H10O2S2/c1-6(9)5-11-12-8-3-4-10-7(8)2/h3-4H,5H2,1-2H3

InChI Key

FAADBRMWDANEGB-UHFFFAOYSA-N

Formula

C8H10O2S2

SMILES

CC(=O)CSSc1ccoc1C

Molecular Weight¹

202.29

Other Names

• 2-Propanone, 1-(2-methyl-3-furyldithio)

• 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.
• 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	0.4289		Relay (1.0) Calculated Property
ΔfG°	-63.61	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-215.28	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	69.67	kJ/mol	Relay (1.0) Calculated Property
IE	8.23	eV	Relay (1.0) Calculated Property
log10WS	-2.00		Relay (1.0) Calculated Property
logPoct/wat	2.917		Crippen Calculated Property
McVol	144.260	ml/mol	McGowan Calculated Property
Pc	3068.80	kPa	Relay (1.0-beta) Calculated Property
Inp	[1445.00; 1476.00]
Inp	1476.00		NIST
Inp	1462.00		NIST
Inp	1445.00		NIST
Inp	1476.00		NIST
Inp	1445.00		NIST
Inp	1462.00		NIST
I	[2200.00; 2235.00]
I	2235.00		NIST
I	2200.00		NIST
I	2200.00		NIST
I	2235.00		NIST
Tboil	561.25	K	Relay (1.0) Calculated Property
Tc	766.40	K	Relay (1.0) Calculated Property
Tfus	308.60	K	Relay (1.0) Calculated Property
Vc	0.503	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 1-[(2-methylL-3-furyl)dithio]-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

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.