Chemical Properties of 2-methyl-3-furyl 2-oxo-3-pentyl disulfide

InChI

InChI=1S/C10H14O2S2/c1-4-9(7(2)11)13-14-10-5-6-12-8(10)3/h5-6,9H,4H2,1-3H3

InChI Key

HUNHUMWMMZADPP-UHFFFAOYSA-N

Formula

C10H14O2S2

SMILES

CCC(SSc1ccoc1C)C(C)=O

Molecular Weight¹

230.35

Other Names

• 2-Pentanone, 3-(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	0.4373		Relay (1.0) Calculated Property
ΔfG°	-74.12	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-269.40	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	72.37	kJ/mol	Relay (1.0) Calculated Property
IE	7.98	eV	Relay (1.0) Calculated Property
log10WS	-2.42		Relay (1.0) Calculated Property
logPoct/wat	3.696		Crippen Calculated Property
McVol	172.440	ml/mol	McGowan Calculated Property
Pc	2569.54	kPa	Relay (1.0-beta) Calculated Property
Inp	[1557.00; 1580.00]
Inp	1571.00		NIST
Inp	1574.00		NIST
Inp	1574.00		NIST
Inp	1580.00		NIST
Inp	1561.00		NIST
Inp	1561.00		NIST
Inp	1580.00		NIST
Inp	1557.00		NIST
Inp	1561.00		NIST
Inp	1557.00		NIST
Inp	1571.00		NIST
I	[2145.00; 2205.00]
I	2205.00		NIST
I	2145.00		NIST
I	2145.00		NIST
I	2205.00		NIST
I	2145.00		NIST
Tboil	568.99	K	Relay (1.0) Calculated Property
Tc	760.47	K	Relay (1.0) Calculated Property
Tfus	293.06	K	Relay (1.0) Calculated Property
Vc	0.589	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 2-methyl-3-furyl 2-oxo-3-pentyl disulfide.

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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