Chemical Properties of Furfuryl 2-propenyl sulfide

InChI

InChI=1S/C9H12S/c1-2-7-10-8-9-5-3-4-6-9/h2-5H,1,6-8H2

InChI Key

CVKRNHDVHYNFHS-UHFFFAOYSA-N

Formula

C9H12S

SMILES

C=CCSCC1=CC=CC1

Molecular Weight¹

152.26

• 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	160.70	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	16.84	kJ/mol	Joback Calculated Property
ΔvapH°	59.24	kJ/mol	Relay (1.0) Calculated Property
IE	7.95	eV	Relay (1.0) Calculated Property
logPoct/wat	2.792		Crippen Calculated Property
McVol	130.260	ml/mol	McGowan Calculated Property
Inp	[1136.00; 1150.00]
Inp	1144.00		NIST
Inp	1146.00		NIST
Inp	1150.00		NIST
Inp	1136.00		NIST
Inp	1144.00		NIST
Inp	1137.00		NIST
Inp	1136.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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	[161.21; 392.72]	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			-2.52480e+01
Coefficient B			8.19890e-01
Coefficient C			-5.38820e-04
Coefficient D			1.36900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	161.21	J/mol×K	273.00	Calculated Property
Cp,gas	203.43	J/mol×K	353.78	Calculated Property
Cp,gas	240.52	J/mol×K	434.56	Calculated Property
Cp,gas	272.91	J/mol×K	515.33	Calculated Property
Cp,gas	301.03	J/mol×K	596.11	Calculated Property
Cp,gas	325.31	J/mol×K	676.89	Calculated Property
Cp,gas	346.18	J/mol×K	757.67	Calculated Property
Cp,gas	364.09	J/mol×K	838.44	Calculated Property
Cp,gas	379.46	J/mol×K	919.22	Calculated Property
Cp,gas	392.72	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Furfuryl 2-propenyl 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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