Chemical Properties of 2-Methylmercaptomethyl-2-butenal

InChI

InChI=1S/C6H10OS/c1-3-6(4-7)5-8-2/h3-4H,5H2,1-2H3/b6-3-

InChI Key

IBSLHWQWKUNIJE-UTCJRWHESA-N

Formula

C6H10OS

SMILES

CC=C(C=O)CSC

Molecular Weight¹

130.21

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	16.61	kJ/mol	Joback Calculated Property
IE	8.96	eV	Relay (1.0) Calculated Property
logPoct/wat	1.495		Crippen Calculated Property
McVol	109.020	ml/mol	McGowan Calculated Property
I	[1713.00; 1713.00]
I	1713.00		NIST
I	1713.00		NIST
Tboil	475.08	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[208.32; 261.64]	J/mol×K	[458.16; 667.40]
Cp,gas	208.32	J/mol×K	458.16	Joback Calculated Property
Cp,gas	218.50	J/mol×K	493.03	Joback Calculated Property
Cp,gas	228.13	J/mol×K	527.91	Joback Calculated Property
Cp,gas	237.24	J/mol×K	562.78	Joback Calculated Property
Cp,gas	245.85	J/mol×K	597.65	Joback Calculated Property
Cp,gas	253.98	J/mol×K	632.53	Joback Calculated Property
Cp,gas	261.64	J/mol×K	667.40	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Methylmercaptomethyl-2-butenal.

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.
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