Chemical Properties of Succinic acid, hexyl 4-methylthiophenyl ester

InChI

InChI=1S/C17H24O4S/c1-3-4-5-6-13-20-16(18)11-12-17(19)21-14-7-9-15(22-2)10-8-14/h7-10H,3-6,11-13H2,1-2H3

InChI Key

XOGWYJSAKKRQAF-UHFFFAOYSA-N

Formula

C17H24O4S

SMILES

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

Molecular Weight¹

324.44

• 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	0.8711		Relay (1.0) Calculated Property
ΔfG°	-239.68	kJ/mol	Joback Calculated Property
ΔfH°gas	-736.90	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	43.14	kJ/mol	Joback Calculated Property
ΔvapH°	98.11	kJ/mol	Relay (1.0) Calculated Property
IE	7.93	eV	Relay (1.0) Calculated Property
log10WS	-4.85		Relay (1.0) Calculated Property
logPoct/wat	4.218		Crippen Calculated Property
McVol	257.860	ml/mol	McGowan Calculated Property
Pc	1700.50	kPa	Joback Calculated Property
Inp	[2498.00; 2498.00]
Inp	2498.00		NIST
Inp	2498.00		NIST
Tboil	641.46	K	Relay (1.0) Calculated Property
Tc	833.25	K	Relay (1.0) Calculated Property
Tfus	313.57	K	Relay (1.0) Calculated Property
Vc	0.934	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[761.89; 829.96]	J/mol×K	[841.38; 1055.08]
Cp,gas	761.89	J/mol×K	841.38	Joback Calculated Property
Cp,gas	776.18	J/mol×K	877.00	Joback Calculated Property
Cp,gas	789.28	J/mol×K	912.61	Joback Calculated Property
Cp,gas	801.20	J/mol×K	948.23	Joback Calculated Property
Cp,gas	811.95	J/mol×K	983.85	Joback Calculated Property
Cp,gas	821.53	J/mol×K	1019.46	Joback Calculated Property
Cp,gas	829.96	J/mol×K	1055.08	Joback Calculated Property

Similar Compounds

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

Sources

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

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