Chemical Properties of Isobutyl furfuryl sulfide

InChI

InChI=1S/C11H18S/c1-10(2)7-8-12-9-11-5-3-4-6-11/h3-5,10H,6-9H2,1-2H3

InChI Key

NXPWMLYKOOSTEU-UHFFFAOYSA-N

Formula

C11H18S

SMILES

CC(C)CCSCC1=CC=CC1

Molecular Weight¹

182.33

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-35.17	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	19.77	kJ/mol	Joback Calculated Property
ΔvapH°	64.55	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	3.652		Crippen Calculated Property
McVol	162.740	ml/mol	McGowan Calculated Property
Inp	[1201.00; 1214.00]
Inp	1209.00		NIST
Inp	1209.00		NIST
Inp	1212.00		NIST
Inp	1214.00		NIST
Inp	1201.00		NIST
Inp	1207.00		NIST
Inp	1202.00		NIST
Inp	1201.00		NIST
Tboil	510.22	K	Relay (1.0) Calculated Property
Tc	717.40	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[374.36; 461.53]	J/mol×K	[542.87; 760.16]
Cp,gas	374.36	J/mol×K	542.87	Joback Calculated Property
Cp,gas	391.24	J/mol×K	579.09	Joback Calculated Property
Cp,gas	407.13	J/mol×K	615.30	Joback Calculated Property
Cp,gas	422.06	J/mol×K	651.52	Joback Calculated Property
Cp,gas	436.08	J/mol×K	687.73	Joback Calculated Property
Cp,gas	449.22	J/mol×K	723.95	Joback Calculated Property
Cp,gas	461.53	J/mol×K	760.16	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isobutyl furfuryl sulfide.

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
• Joback 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.
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