Chemical Properties of Succinic acid, 2-methylhex-3-yl 4-methylthiophenyl ester

InChI

InChI=1S/C18H26O4S/c1-5-6-16(13(2)3)22-18(20)12-11-17(19)21-14-7-9-15(23-4)10-8-14/h7-10,13,16H,5-6,11-12H2,1-4H3

InChI Key

RXLVZHZTYHAXSP-UHFFFAOYSA-N

Formula

C18H26O4S

SMILES

CCCC(OC(=O)CCC(=O)Oc1ccc(SC)cc1)C(C)C

Molecular Weight¹

338.46

• 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).
• 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
ΔfG°	-236.14	kJ/mol	Joback Calculated Property
ΔfH°gas	-648.08	kJ/mol	Joback Calculated Property
ΔfusH°	38.69	kJ/mol	Joback Calculated Property
ΔvapH°	82.95	kJ/mol	Joback Calculated Property
log10WS	-5.03		Crippen Calculated Property
logPoct/wat	4.462		Crippen Calculated Property
McVol	271.950	ml/mol	McGowan Calculated Property
Pc	1593.62	kPa	Joback Calculated Property
Inp	[2456.00; 2456.00]
Inp	2456.00		NIST
Inp	2456.00		NIST
Tboil	863.38	K	Joback Calculated Property
Tc	1081.07	K	Joback Calculated Property
Tfus	480.28	K	Joback Calculated Property
Vc	1.026	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[820.53; 889.33]	J/mol×K	[863.38; 1081.07]
Cp,gas	820.53	J/mol×K	863.38	Joback Calculated Property
Cp,gas	835.23	J/mol×K	899.66	Joback Calculated Property
Cp,gas	848.62	J/mol×K	935.94	Joback Calculated Property
Cp,gas	860.72	J/mol×K	972.22	Joback Calculated Property
Cp,gas	871.52	J/mol×K	1008.51	Joback Calculated Property
Cp,gas	881.06	J/mol×K	1044.79	Joback Calculated Property
Cp,gas	889.33	J/mol×K	1081.07	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2-methylhex-3-yl 4-methylthiophenyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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