Chemical Properties of Succinic acid, 3-methylbut-2-en-1-yl 2-fluorophenyl ester

InChI

InChI=1S/C15H17FO4/c1-11(2)9-10-19-14(17)7-8-15(18)20-13-6-4-3-5-12(13)16/h3-6,9H,7-8,10H2,1-2H3

InChI Key

RTZRQEWKVLNBJX-UHFFFAOYSA-N

Formula

C15H17FO4

SMILES

CC(C)=CCOC(=O)CCC(=O)Oc1ccccc1F

Molecular Weight¹

280.29

• 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°	-412.78	kJ/mol	Joback Calculated Property
ΔfH°gas	-706.15	kJ/mol	Joback Calculated Property
ΔfusH°	35.80	kJ/mol	Joback Calculated Property
ΔvapH°	69.46	kJ/mol	Joback Calculated Property
log10WS	-3.76		Crippen Calculated Property
logPoct/wat	3.021		Crippen Calculated Property
McVol	210.800	ml/mol	McGowan Calculated Property
Pc	1996.55	kPa	Joback Calculated Property
Inp	[1926.00; 1926.00]
Inp	1926.00		NIST
Inp	1926.00		NIST
Tboil	730.15	K	Joback Calculated Property
Tc	935.65	K	Joback Calculated Property
Tfus	423.62	K	Joback Calculated Property
Vc	0.815	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[577.17; 647.02]	J/mol×K	[730.15; 935.65]
Cp,gas	577.17	J/mol×K	730.15	Joback Calculated Property
Cp,gas	590.97	J/mol×K	764.40	Joback Calculated Property
Cp,gas	603.88	J/mol×K	798.65	Joback Calculated Property
Cp,gas	615.92	J/mol×K	832.90	Joback Calculated Property
Cp,gas	627.10	J/mol×K	867.15	Joback Calculated Property
Cp,gas	637.46	J/mol×K	901.40	Joback Calculated Property
Cp,gas	647.02	J/mol×K	935.65	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 3-methylbut-2-en-1-yl 2-fluorophenyl ester.

Sources

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

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