Chemical Properties of Succinic acid, ethyl 4-methylthiophenyl ester

InChI

InChI=1S/C13H16O4S/c1-3-16-12(14)8-9-13(15)17-10-4-6-11(18-2)7-5-10/h4-7H,3,8-9H2,1-2H3

InChI Key

TYJIAACQOQHVNH-UHFFFAOYSA-N

Formula

C13H16O4S

SMILES

CCOC(=O)CCC(=O)Oc1ccc(SC)cc1

Molecular Weight¹

268.33

• ω : Acentric Factor.
• 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).
• 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
ω	0.7037		Relay (1.0) Calculated Property
ΔfH°gas	-664.08	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	32.78	kJ/mol	Joback Calculated Property
ΔvapH°	89.38	kJ/mol	Relay (1.0) Calculated Property
IE	7.89	eV	Relay (1.0) Calculated Property
log10WS	-3.44		Relay (1.0) Calculated Property
logPoct/wat	2.657		Crippen Calculated Property
McVol	201.500	ml/mol	McGowan Calculated Property
Pc	2400.57	kPa	Joback Calculated Property
Inp	[2103.00; 2103.00]
Inp	2103.00		NIST
Inp	2103.00		NIST
Tboil	610.91	K	Relay (1.0) Calculated Property
Tc	799.18	K	Relay (1.0) Calculated Property
Tfus	329.20	K	Relay (1.0) Calculated Property
Vc	0.724	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[540.61; 604.84]	J/mol×K	[749.86; 972.95]
Cp,gas	540.61	J/mol×K	749.86	Joback Calculated Property
Cp,gas	553.91	J/mol×K	787.04	Joback Calculated Property
Cp,gas	566.18	J/mol×K	824.22	Joback Calculated Property
Cp,gas	577.42	J/mol×K	861.40	Joback Calculated Property
Cp,gas	587.60	J/mol×K	898.58	Joback Calculated Property
Cp,gas	596.75	J/mol×K	935.77	Joback Calculated Property
Cp,gas	604.84	J/mol×K	972.95	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, ethyl 4-methylthiophenyl ester.

Sources

• Cheméo Relay (1.0)
• 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.