Chemical Properties of Benzenesulphonic acid, 4-(4-undecyl)-, methyl ester

InChI

InChI=1S/C18H30O3S/c1-4-6-7-8-9-11-16(10-5-2)17-12-14-18(15-13-17)22(19,20)21-3/h12-16H,4-11H2,1-3H3

InChI Key

WQBWCYZZHOPYIQ-UHFFFAOYSA-N

Formula

C18H30O3S

SMILES

CCCCCCCC(CCC)c1ccc(S(=O)(=O)OC)cc1

Molecular Weight¹

326.49

• 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°	-372.52	kJ/mol	Joback Calculated Property
ΔfH°gas	-780.64	kJ/mol	Joback Calculated Property
ΔfusH°	45.07	kJ/mol	Joback Calculated Property
ΔvapH°	79.26	kJ/mol	Joback Calculated Property
log10WS	-5.78		Crippen Calculated Property
logPoct/wat	5.266		Crippen Calculated Property
McVol	274.680	ml/mol	McGowan Calculated Property
Pc	1620.68	kPa	Joback Calculated Property
Inp	[2389.00; 2389.00]
Inp	2389.00		NIST
Inp	2389.00		NIST
Tboil	712.66	K	Joback Calculated Property
Tc	898.55	K	Joback Calculated Property
Tfus	377.35	K	Joback Calculated Property
Vc	1.073	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[781.69; 877.60]	J/mol×K	[712.66; 898.55]
Cp,gas	781.69	J/mol×K	712.66	Joback Calculated Property
Cp,gas	800.29	J/mol×K	743.64	Joback Calculated Property
Cp,gas	817.83	J/mol×K	774.62	Joback Calculated Property
Cp,gas	834.31	J/mol×K	805.61	Joback Calculated Property
Cp,gas	849.76	J/mol×K	836.59	Joback Calculated Property
Cp,gas	864.18	J/mol×K	867.57	Joback Calculated Property
Cp,gas	877.60	J/mol×K	898.55	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzenesulphonic acid, 4-(4-undecyl)-, methyl ester.

Sources

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

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