Chemical Properties of Butyl furfuryl sulfide

InChI

InChI=1S/C10H16S/c1-2-3-8-11-9-10-6-4-5-7-10/h4-6H,2-3,7-9H2,1H3

InChI Key

GUIUGOUTYXUIJV-UHFFFAOYSA-N

Formula

C10H16S

SMILES

CCCCSCC1=CC=CC1

Molecular Weight¹

168.30

• 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).
• IE : Ionization energy (eV).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	14.63	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.71	kJ/mol	Joback Calculated Property
ΔvapH°	62.11	kJ/mol	Relay (1.0) Calculated Property
IE	7.77	eV	Relay (1.0) Calculated Property
logPoct/wat	3.406		Crippen Calculated Property
McVol	148.650	ml/mol	McGowan Calculated Property
Inp	[1247.00; 1258.00]
Inp	1253.00		NIST
Inp	1256.00		NIST
Inp	1258.00		NIST
Inp	1248.00		NIST
Inp	1252.00		NIST
Inp	1247.00		NIST
Inp	1248.00		NIST
Tboil	496.01	K	Relay (1.0) Calculated Property
Tfus	209.61	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[192.23; 472.82]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-2.31660e+01
Coefficient B			9.34910e-01
Coefficient C			-5.70320e-04
Coefficient D			1.31400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	192.23	J/mol×K	273.00	Calculated Property
Cp,gas	242.02	J/mol×K	353.78	Calculated Property
Cp,gas	286.19	J/mol×K	434.56	Calculated Property
Cp,gas	325.15	J/mol×K	515.33	Calculated Property
Cp,gas	359.32	J/mol×K	596.11	Calculated Property
Cp,gas	389.11	J/mol×K	676.89	Calculated Property
Cp,gas	414.94	J/mol×K	757.67	Calculated Property
Cp,gas	437.22	J/mol×K	838.44	Calculated Property
Cp,gas	456.38	J/mol×K	919.22	Calculated Property
Cp,gas	472.82	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Butyl 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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