Chemical Properties of 4-Hydroxy-2,6-dimethyl-tetrahydro-thiopyran-3-carbaldehyde

InChI

InChI=1S/C8H14O2S/c1-5-3-8(10)7(4-9)6(2)11-5/h4-8,10H,3H2,1-2H3

InChI Key

SBABNVSRZXHIGQ-UHFFFAOYSA-N

Formula

C8H14O2S

SMILES

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

Molecular Weight¹

174.26

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.4735		Relay (1.0) Calculated Property
ΔfG°	-178.68	kJ/mol	Joback Calculated Property
ΔfH°gas	-400.89	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.56	kJ/mol	Joback Calculated Property
ΔvapH°	82.74	kJ/mol	Relay (1.0) Calculated Property
IE	8.42	eV	Relay (1.0) Calculated Property
log10WS	-0.53		Relay (1.0) Calculated Property
logPoct/wat	1.076		Crippen Calculated Property
McVol	136.510	ml/mol	McGowan Calculated Property
Pc	3380.21	kPa	Joback Calculated Property
Inp	[1324.00; 1342.00]
Inp	1324.00		NIST
Inp	1342.00		NIST
Inp	1324.00		NIST
Tboil	531.57	K	Relay (1.0) Calculated Property
Tc	756.37	K	Relay (1.0) Calculated Property
Tfus	377.15	K	Relay (1.0) Calculated Property
Vc	0.458	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[347.01; 421.83]	J/mol×K	[576.65; 781.89]
Cp,gas	347.01	J/mol×K	576.65	Joback Calculated Property
Cp,gas	361.34	J/mol×K	610.86	Joback Calculated Property
Cp,gas	374.92	J/mol×K	645.06	Joback Calculated Property
Cp,gas	387.75	J/mol×K	679.27	Joback Calculated Property
Cp,gas	399.84	J/mol×K	713.48	Joback Calculated Property
Cp,gas	411.20	J/mol×K	747.68	Joback Calculated Property
Cp,gas	421.83	J/mol×K	781.89	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-Hydroxy-2,6-dimethyl-tetrahydro-thiopyran-3-carbaldehyde.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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