Chemical Properties of 2H-THIOPYRAN-3-CARBOXALDEHYDE, 5,6-DIHYDRO-2,6-DIMETHYL-

InChI

InChI=1S/C8H12OS/c1-6-3-4-8(5-9)7(2)10-6/h4-7H,3H2,1-2H3

InChI Key

OVGLVUDQBOCQPR-UHFFFAOYSA-N

Formula

C8H12OS

SMILES

CC1CC=C(C=O)C(C)S1

Molecular Weight¹

156.25

Other Names

• 2,6-Dimethyl-5,6-dihydro-2H-thiopyran-3-carbaldehyde

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	16.16	kJ/mol	Joback Calculated Property
logPoct/wat	2.026		Crippen Calculated Property
McVol	126.340	ml/mol	McGowan Calculated Property
Inp	[1240.00; 1240.00]
Inp	1240.00		NIST
Inp	1240.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[164.87; 406.56]	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			-8.75000e+00
Coefficient B			7.32850e-01
Coefficient C			-3.68940e-04
Coefficient D			5.14000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	164.87	J/mol×K	273.00	Calculated Property
Cp,gas	206.62	J/mol×K	353.78	Calculated Property
Cp,gas	244.26	J/mol×K	434.56	Calculated Property
Cp,gas	277.97	J/mol×K	515.33	Calculated Property
Cp,gas	307.90	J/mol×K	596.11	Calculated Property
Cp,gas	334.21	J/mol×K	676.89	Calculated Property
Cp,gas	357.07	J/mol×K	757.67	Calculated Property
Cp,gas	376.64	J/mol×K	838.44	Calculated Property
Cp,gas	393.08	J/mol×K	919.22	Calculated Property
Cp,gas	406.56	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2H-THIOPYRAN-3-CARBOXALDEHYDE, 5,6-DIHYDRO-2,6-DIMETHYL-.

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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