Chemical Properties of Succinic acid, 4-methylthiophenyl octadecyl ester

InChI

InChI=1S/C29H48O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-32-28(30)23-24-29(31)33-26-19-21-27(34-2)22-20-26/h19-22H,3-18,23-25H2,1-2H3

InChI Key

RUKQZVNILOQHTD-UHFFFAOYSA-N

Formula

C29H48O4S

SMILES

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

Molecular Weight¹

492.75

• 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	1.3109		Relay (1.0) Calculated Property
ΔfG°	-138.64	kJ/mol	Joback Calculated Property
ΔfH°gas	-992.52	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	74.22	kJ/mol	Joback Calculated Property
ΔvapH°	144.40	kJ/mol	Relay (1.0) Calculated Property
IE	8.26	eV	Relay (1.0) Calculated Property
log10WS	-8.37		Relay (1.0) Calculated Property
logPoct/wat	8.899		Crippen Calculated Property
McVol	426.940	ml/mol	McGowan Calculated Property
Pc	781.56	kPa	Joback Calculated Property
Inp	[3707.00; 3707.00]
Inp	3707.00		NIST
Inp	3707.00		NIST
Tboil	723.13	K	Relay (1.0) Calculated Property
Tc	916.41	K	Relay (1.0) Calculated Property
Tfus	342.89	K	Relay (1.0) Calculated Property
Vc	1.590	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1488.50; 1549.68]	J/mol×K	[1115.94; 1379.21]
Cp,gas	1488.50	J/mol×K	1115.94	Joback Calculated Property
Cp,gas	1504.12	J/mol×K	1159.82	Joback Calculated Property
Cp,gas	1517.45	J/mol×K	1203.70	Joback Calculated Property
Cp,gas	1528.58	J/mol×K	1247.58	Joback Calculated Property
Cp,gas	1537.60	J/mol×K	1291.45	Joback Calculated Property
Cp,gas	1544.60	J/mol×K	1335.33	Joback Calculated Property
Cp,gas	1549.68	J/mol×K	1379.21	Joback Calculated Property

Similar Compounds

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

Sources

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

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