Chemical Properties of 2H-Thiopyran-3-carboxaldehyde, 5,6-dihydro-2,6-dimethyl- (CAS 13643-96-4)

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

CAS

13643-96-4

Other Names

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

• 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°	-6.11	kJ/mol	Joback Calculated Property
ΔfH°gas	-168.48	kJ/mol	Joback Calculated Property
ΔfusH°	16.16	kJ/mol	Joback Calculated Property
ΔvapH°	47.01	kJ/mol	Joback Calculated Property
log10WS	-2.31		Crippen Calculated Property
logPoct/wat	2.026		Crippen Calculated Property
McVol	126.340	ml/mol	McGowan Calculated Property
Pc	3360.64	kPa	Joback Calculated Property
Inp	[1240.00; 1240.00]
Inp	1240.00		NIST
Inp	1240.00		NIST
Tboil	497.95	K	Joback Calculated Property
Tc	722.79	K	Joback Calculated Property
Tfus	321.79	K	Joback Calculated Property
Vc	0.465	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[271.04; 347.61]	J/mol×K	[497.95; 722.79]
Cp,gas	271.04	J/mol×K	497.95	Joback Calculated Property
Cp,gas	285.76	J/mol×K	535.42	Joback Calculated Property
Cp,gas	299.67	J/mol×K	572.90	Joback Calculated Property
Cp,gas	312.80	J/mol×K	610.37	Joback Calculated Property
Cp,gas	325.15	J/mol×K	647.84	Joback Calculated Property
Cp,gas	336.75	J/mol×K	685.32	Joback Calculated Property
Cp,gas	347.61	J/mol×K	722.79	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2H-Thiopyran-3-carboxaldehyde, 5,6-dihydro-2,6-dimethyl-.

Sources

• 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.