Chemical Properties of 5-methyl-2-[ (methylthio)methyl]-2-hexenal

InChI

InChI=1S/C9H16OS/c1-8(2)4-5-9(6-10)7-11-3/h5-6,8H,4,7H2,1-3H3/b9-5-

InChI Key

FHZUYUPNOHOVIC-UITAMQMPSA-N

Formula

C9H16OS

SMILES

CSCC(C=O)=CCC(C)C

Molecular Weight¹

172.29

• 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 : 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°	27.73	kJ/mol	Joback Calculated Property
ΔfH°gas	-170.65	kJ/mol	Joback Calculated Property
ΔfusH°	20.85	kJ/mol	Joback Calculated Property
ΔvapH°	48.81	kJ/mol	Joback Calculated Property
log10WS	-2.37		Crippen Calculated Property
logPoct/wat	2.521		Crippen Calculated Property
McVol	151.290	ml/mol	McGowan Calculated Property
Pc	2695.80	kPa	Joback Calculated Property
I	[1820.00; 1820.00]
I	1820.00		NIST
I	1820.00		NIST
Tboil	526.36	K	Joback Calculated Property
Tc	731.35	K	Joback Calculated Property
Tfus	233.55	K	Joback Calculated Property
Vc	0.586	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[335.47; 407.68]	J/mol×K	[526.36; 731.35]
Cp,gas	335.47	J/mol×K	526.36	Joback Calculated Property
Cp,gas	349.25	J/mol×K	560.52	Joback Calculated Property
Cp,gas	362.29	J/mol×K	594.69	Joback Calculated Property
Cp,gas	374.63	J/mol×K	628.85	Joback Calculated Property
Cp,gas	386.29	J/mol×K	663.02	Joback Calculated Property
Cp,gas	397.30	J/mol×K	697.18	Joback Calculated Property
Cp,gas	407.68	J/mol×K	731.35	Joback Calculated Property

Similar Compounds

Find more compounds similar to 5-methyl-2-[ (methylthio)methyl]-2-hexenal.

Sources

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

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