Chemical Properties of CH3OC(O)SC2H5 (CAS 38103-96-7)

InChI

InChI=1S/C4H8O2S/c1-3-7-4(5)6-2/h3H2,1-2H3

InChI Key

VVIAWLIDZAXESO-UHFFFAOYSA-N

Formula

C4H8O2S

SMILES

CCSC(=O)OC

Molecular Weight¹

120.17

CAS

38103-96-7

Other Names

• S-Ethyl O-methyl thiocarbonate
• Carbonothioic acid, S-ethyl, methyl ester
• C2H5S(OCH3)CO

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• 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).
• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[127.18; 260.39]	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			4.42610e+01
Coefficient B			3.23430e-01
Coefficient C			-5.90000e-05
Coefficient D			-4.83000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	127.18	J/mol×K	273.00	Calculated Property
Cp,gas	149.16	J/mol×K	353.78	Calculated Property
Cp,gas	169.70	J/mol×K	434.56	Calculated Property
Cp,gas	188.66	J/mol×K	515.33	Calculated Property
Cp,gas	205.86	J/mol×K	596.11	Calculated Property
Cp,gas	221.18	J/mol×K	676.89	Calculated Property
Cp,gas	234.44	J/mol×K	757.67	Calculated Property
Cp,gas	245.49	J/mol×K	838.44	Calculated Property
Cp,gas	254.20	J/mol×K	919.22	Calculated Property
Cp,gas	260.39	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to CH3OC(O)SC2H5.

Sources

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

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