Chemical Properties of Succinic acid, 3-methylbut-2-yl 4-fluoro-2-methoxyphenyl ester

InChI

InChI=1S/C16H21FO5/c1-10(2)11(3)21-15(18)7-8-16(19)22-13-6-5-12(17)9-14(13)20-4/h5-6,9-11H,7-8H2,1-4H3

InChI Key

LSBNCSPSPRUBHS-UHFFFAOYSA-N

Formula

C16H21FO5

SMILES

COc1cc(F)ccc1OC(=O)CCC(=O)OC(C)C(C)C

Molecular Weight¹

312.33

• 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°	-595.54	kJ/mol	Joback Calculated Property
ΔfH°gas	-988.47	kJ/mol	Joback Calculated Property
ΔfusH°	33.25	kJ/mol	Joback Calculated Property
ΔvapH°	73.94	kJ/mol	Joback Calculated Property
log10WS	-3.90		Crippen Calculated Property
logPoct/wat	3.108		Crippen Calculated Property
McVol	235.060	ml/mol	McGowan Calculated Property
Pc	1726.03	kPa	Joback Calculated Property
Inp	[2049.00; 2049.00]
Inp	2049.00		NIST
Inp	2049.00		NIST
Tboil	775.51	K	Joback Calculated Property
Tc	976.52	K	Joback Calculated Property
Tfus	458.68	K	Joback Calculated Property
Vc	0.895	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[684.18; 755.91]	J/mol×K	[775.51; 976.52]
Cp,gas	684.18	J/mol×K	775.51	Joback Calculated Property
Cp,gas	698.69	J/mol×K	809.01	Joback Calculated Property
Cp,gas	712.18	J/mol×K	842.51	Joback Calculated Property
Cp,gas	724.65	J/mol×K	876.02	Joback Calculated Property
Cp,gas	736.10	J/mol×K	909.52	Joback Calculated Property
Cp,gas	746.52	J/mol×K	943.02	Joback Calculated Property
Cp,gas	755.91	J/mol×K	976.52	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 3-methylbut-2-yl 4-fluoro-2-methoxyphenyl ester.

Sources

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

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