Chemical Properties of Phthalic acid, 2-(methylthio)phenyl propyl ester

InChI

InChI=1S/C18H18O4S/c1-3-12-21-17(19)13-8-4-5-9-14(13)18(20)22-15-10-6-7-11-16(15)23-2/h4-11H,3,12H2,1-2H3

InChI Key

DAIQCCSYRRNTPQ-UHFFFAOYSA-N

Formula

C18H18O4S

SMILES

CCCOC(=O)c1ccccc1C(=O)Oc1ccccc1SC

Molecular Weight¹

330.40

• 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°	-128.48	kJ/mol	Joback Calculated Property
ΔfH°gas	-412.46	kJ/mol	Joback Calculated Property
ΔfusH°	39.38	kJ/mol	Joback Calculated Property
ΔvapH°	86.67	kJ/mol	Joback Calculated Property
log10WS	-5.38		Crippen Calculated Property
logPoct/wat	4.194		Crippen Calculated Property
McVol	248.190	ml/mol	McGowan Calculated Property
Pc	2056.76	kPa	Joback Calculated Property
Inp	[2624.00; 2624.00]
Inp	2624.00		NIST
Inp	2624.00		NIST
Tboil	895.92	K	Joback Calculated Property
Tc	1138.18	K	Joback Calculated Property
Tfus	549.22	K	Joback Calculated Property
Vc	0.929	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[717.99; 769.68]	J/mol×K	[895.92; 1138.18]
Cp,gas	717.99	J/mol×K	895.92	Joback Calculated Property
Cp,gas	730.18	J/mol×K	936.30	Joback Calculated Property
Cp,gas	740.92	J/mol×K	976.67	Joback Calculated Property
Cp,gas	750.21	J/mol×K	1017.05	Joback Calculated Property
Cp,gas	758.10	J/mol×K	1057.42	Joback Calculated Property
Cp,gas	764.58	J/mol×K	1097.80	Joback Calculated Property
Cp,gas	769.68	J/mol×K	1138.18	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, 2-(methylthio)phenyl propyl ester.

Sources

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

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