Chemical Properties of 2,4-Dimethyl-3,4-dihydro-2H-thiopyran-3-carbaldehyde

InChI

InChI=1S/C8H12OS/c1-6-3-4-10-7(2)8(6)5-9/h3-8H,1-2H3

InChI Key

WVFWAFOQWGIAOA-UHFFFAOYSA-N

Formula

C8H12OS

SMILES

CC1C=CSC(C)C1C=O

Molecular Weight¹

156.25

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• 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.
• 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
ΔfG°	-4.19	kJ/mol	Joback Calculated Property
ΔfH°gas	-177.35	kJ/mol	Joback Calculated Property
ΔfusH°	17.62	kJ/mol	Joback Calculated Property
ΔvapH°	46.04	kJ/mol	Joback Calculated Property
log10WS	-2.21		Crippen Calculated Property
logPoct/wat	2.087		Crippen Calculated Property
McVol	126.340	ml/mol	McGowan Calculated Property
Pc	3291.59	kPa	Joback Calculated Property
Inp	[1210.00; 1210.00]
Inp	1210.00		NIST
Inp	1210.00		NIST
Tboil	488.30	K	Joback Calculated Property
Tc	711.68	K	Joback Calculated Property
Tfus	305.03	K	Joback Calculated Property
Vc	0.464	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[271.71; 352.51]	J/mol×K	[488.30; 711.68]
Cp,gas	271.71	J/mol×K	488.30	Joback Calculated Property
Cp,gas	287.24	J/mol×K	525.53	Joback Calculated Property
Cp,gas	301.92	J/mol×K	562.76	Joback Calculated Property
Cp,gas	315.78	J/mol×K	599.99	Joback Calculated Property
Cp,gas	328.82	J/mol×K	637.22	Joback Calculated Property
Cp,gas	341.05	J/mol×K	674.45	Joback Calculated Property
Cp,gas	352.51	J/mol×K	711.68	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,4-Dimethyl-3,4-dihydro-2H-thiopyran-3-carbaldehyde.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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