Chemical Properties of Mcpa-thioethyl (CAS 25319-90-8)

InChI

InChI=1S/C11H13ClO2S/c1-3-15-11(13)7-14-10-5-4-9(12)6-8(10)2/h4-6H,3,7H2,1-2H3

InChI Key

AZFKQCNGMSSWDS-UHFFFAOYSA-N

Formula

C11H13ClO2S

SMILES

CCSC(=O)COc1ccc(Cl)cc1C

Molecular Weight¹

244.74

CAS

25319-90-8

Other Names

• S-ethyl (4-chloro-2-methylphenoxy)ethanethioate

• ω : Acentric Factor.
• 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).
• 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	0.5273		Relay (1.0) Calculated Property
ΔfG°	-77.84	kJ/mol	Joback Calculated Property
ΔfH°gas	-305.78	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	28.62	kJ/mol	Joback Calculated Property
ΔvapH°	76.64	kJ/mol	Relay (1.0) Calculated Property
IE	8.33	eV	Relay (1.0) Calculated Property
log10WS	-3.74		Relay (1.0) Calculated Property
logPoct/wat	3.307		Crippen Calculated Property
McVol	178.120	ml/mol	McGowan Calculated Property
Pc	2637.96	kPa	Joback Calculated Property
Inp	[1826.00; 1835.00]
Inp	1826.00		NIST
Inp	1835.00		NIST
Inp	1826.00		NIST
Tboil	581.29	K	Relay (1.0) Calculated Property
Tc	786.33	K	Relay (1.0) Calculated Property
Tfus	333.58	K	Relay (1.0) Calculated Property
Vc	0.611	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[422.08; 486.67]	J/mol×K	[670.22; 902.13]
Cp,gas	422.08	J/mol×K	670.22	Joback Calculated Property
Cp,gas	435.03	J/mol×K	708.87	Joback Calculated Property
Cp,gas	447.10	J/mol×K	747.52	Joback Calculated Property
Cp,gas	458.30	J/mol×K	786.17	Joback Calculated Property
Cp,gas	468.62	J/mol×K	824.83	Joback Calculated Property
Cp,gas	478.08	J/mol×K	863.48	Joback Calculated Property
Cp,gas	486.67	J/mol×K	902.13	Joback Calculated Property

Similar Compounds

Find more compounds similar to Mcpa-thioethyl.

Sources

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

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