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

InChI

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

InChI Key

RDDYQCHVKDENAB-UHFFFAOYSA-N

Formula

C15H17FO4

SMILES

CC(C)=CCOC(=O)CCC(=O)Oc1cccc(F)c1

Molecular Weight¹

280.29

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.7037		Relay (... Calculated Property
ΔfG°	-412.78	kJ/mol	Joback Calculated Property
ΔfH°gas	-849.59	kJ/mol	Relay (... Calculated Property
ΔfusH°	35.80	kJ/mol	Joback Calculated Property
ΔvapH°	85.45	kJ/mol	Relay (... Calculated Property
IE	8.53	eV	Relay (... Calculated Property
log10WS	-4.23		Relay (... 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	[1913.00; 1913.00]
Inp	1913.00		NIST
Inp	1913.00		NIST
Tboil	587.45	K	Relay (... Calculated Property
Tc	779.86	K	Relay (... Calculated Property
Tfus	305.22	K	Relay (... Calculated Property
Vc	0.764	m3/kmol	Relay (... 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 3-fluorophenyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.