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

InChI

InChI=1S/C19H32O3S/c1-4-6-7-8-9-10-12-17(11-5-2)18-13-15-19(16-14-18)23(20,21)22-3/h13-17H,4-12H2,1-3H3

InChI Key

SJOZQVLUGPLBPT-UHFFFAOYSA-N

Formula

C19H32O3S

SMILES

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

Molecular Weight¹

340.52

• 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°	-364.10	kJ/mol	Joback Calculated Property
ΔfH°gas	-801.28	kJ/mol	Joback Calculated Property
ΔfusH°	47.66	kJ/mol	Joback Calculated Property
ΔvapH°	81.48	kJ/mol	Joback Calculated Property
log10WS	-6.19		Crippen Calculated Property
logPoct/wat	5.656		Crippen Calculated Property
McVol	288.770	ml/mol	McGowan Calculated Property
Pc	1502.31	kPa	Joback Calculated Property
Inp	[2495.00; 2495.00]
Inp	2495.00		NIST
Inp	2495.00		NIST
Tboil	735.54	K	Joback Calculated Property
Tc	921.06	K	Joback Calculated Property
Tfus	388.62	K	Joback Calculated Property
Vc	1.129	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[839.80; 936.46]	J/mol×K	[735.54; 921.06]
Cp,gas	839.80	J/mol×K	735.54	Joback Calculated Property
Cp,gas	858.61	J/mol×K	766.46	Joback Calculated Property
Cp,gas	876.32	J/mol×K	797.38	Joback Calculated Property
Cp,gas	892.95	J/mol×K	828.30	Joback Calculated Property
Cp,gas	908.50	J/mol×K	859.22	Joback Calculated Property
Cp,gas	923.00	J/mol×K	890.14	Joback Calculated Property
Cp,gas	936.46	J/mol×K	921.06	Joback Calculated Property

Similar Compounds

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

Sources

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

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