Chemical Properties of Sulfide, allyl methyl (CAS 10152-76-8)

InChI

InChI=1S/C4H8S/c1-3-4-5-2/h3H,1,4H2,2H3

InChI Key

NVLPQIPTCCLBEU-UHFFFAOYSA-N

Formula

C4H8S

SMILES

C=CCSC

Molecular Weight¹

88.17

CAS

10152-76-8

Other Names

• 1-Propene, 3-(methylthio)-
• Allyl methyl sulfide
• Methyl allyl sulfide
• 3-(Methylthio)propene
• CH3SCH2CH=CH2
• 3-(Methylsulfanyl)-1-propene
• 3-(Methylthio)-1-propene
• Methyl 2-propenyl sulfide
• Methyl allyl sulphide
• allyl methyl sulphide

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• 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
ΔfH°gas	36.10	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	8.97	kJ/mol	Joback Calculated Property
ΔvapH°	36.33	kJ/mol	Relay (1.0) Calculated Property
IE	[8.60; 8.70]	eV
IE	8.60	eV	NIST
IE	8.70 ± 0.20	eV	NIST
IE	8.65	eV	NIST
logPoct/wat	1.535		Crippen Calculated Property
McVol	79.270	ml/mol	McGowan Calculated Property
Inp	[678.00; 701.00]
Inp	697.00		NIST
Inp	697.00		NIST
Inp	Outlier 678.00		NIST
Inp	Outlier 678.00		NIST
Inp	684.00		NIST
Inp	701.00		NIST
Inp	698.00		NIST
Inp	696.00		NIST
Inp	697.00		NIST
Inp	697.00		NIST
Inp	698.00		NIST
Inp	701.00		NIST
Inp	697.00		NIST
I	[932.00; 976.00]
I	960.00		NIST
I	976.00		NIST
I	948.00		NIST
I	943.00		NIST
I	960.00		NIST
I	960.00		NIST
I	Outlier 932.00		NIST
I	956.00		NIST
I	956.00		NIST
I	956.00		NIST
I	956.00		NIST
Tboil	[365.00; 365.20]	K
Tboil	365.20	K	NIST
Tboil	365.00	K	NIST

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[101.03; 223.77]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			1.58610e+01
Coefficient B			3.58210e-01
Coefficient C			-1.76500e-04
Coefficient D			2.62000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	101.03	J/mol×K	273.00	Calculated Property
Cp,gas	121.66	J/mol×K	353.78	Calculated Property
Cp,gas	140.34	J/mol×K	434.56	Calculated Property
Cp,gas	157.17	J/mol×K	515.33	Calculated Property
Cp,gas	172.22	J/mol×K	596.11	Calculated Property
Cp,gas	185.59	J/mol×K	676.89	Calculated Property
Cp,gas	197.34	J/mol×K	757.67	Calculated Property
Cp,gas	207.57	J/mol×K	838.44	Calculated Property
Cp,gas	216.35	J/mol×K	919.22	Calculated Property
Cp,gas	223.77	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Sulfide, allyl methyl.

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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
These property values are available through the Cheméo API. A free account gives you an access key.