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

InChI

InChI=1S/C18H23FO4/c1-3-5-6-9-14(4-2)22-17(20)12-13-18(21)23-16-11-8-7-10-15(16)19/h4,7-8,10-11,14H,2-3,5-6,9,12-13H2,1H3

InChI Key

NMCVKQSXAYZNJX-UHFFFAOYSA-N

Formula

C18H23FO4

SMILES

C=CC(CCCCC)OC(=O)CCC(=O)Oc1ccccc1F

Molecular Weight¹

322.37

• 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°	-373.79	kJ/mol	Joback Calculated Property
ΔfH°gas	-755.35	kJ/mol	Joback Calculated Property
ΔfusH°	39.88	kJ/mol	Joback Calculated Property
ΔvapH°	75.04	kJ/mol	Joback Calculated Property
log10WS	-5.13		Crippen Calculated Property
logPoct/wat	4.189		Crippen Calculated Property
McVol	253.070	ml/mol	McGowan Calculated Property
Pc	1558.58	kPa	Joback Calculated Property
Inp	[2176.00; 2176.00]
Inp	2176.00		NIST
Inp	2176.00		NIST
Tboil	790.99	K	Joback Calculated Property
Tc	989.60	K	Joback Calculated Property
Tfus	459.71	K	Joback Calculated Property
Vc	0.977	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[743.18; 817.57]	J/mol×K	[790.99; 989.60]
Cp,gas	743.18	J/mol×K	790.99	Joback Calculated Property
Cp,gas	758.02	J/mol×K	824.09	Joback Calculated Property
Cp,gas	771.86	J/mol×K	857.19	Joback Calculated Property
Cp,gas	784.71	J/mol×K	890.29	Joback Calculated Property
Cp,gas	796.60	J/mol×K	923.40	Joback Calculated Property
Cp,gas	807.55	J/mol×K	956.50	Joback Calculated Property
Cp,gas	817.57	J/mol×K	989.60	Joback Calculated Property

Similar Compounds

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

Sources

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

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