Chemical Properties of Fumaric acid, 3-phenylpropyl 2-chloro-6-fluorophenyl ester

InChI

InChI=1S/C19H16ClFO4/c20-15-9-4-10-16(21)19(15)25-18(23)12-11-17(22)24-13-5-8-14-6-2-1-3-7-14/h1-4,6-7,9-12H,5,8,13H2/b12-11+

InChI Key

RDDTXQCMDJQJBP-VAWYXSNFSA-N

Formula

C19H16ClFO4

SMILES

O=C(C=CC(=O)Oc1c(F)cccc1Cl)OCCCc1ccccc1

Molecular Weight¹

362.78

• 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°	-279.70	kJ/mol	Joback Calculated Property
ΔfH°gas	-569.60	kJ/mol	Joback Calculated Property
ΔfusH°	45.32	kJ/mol	Joback Calculated Property
ΔvapH°	85.60	kJ/mol	Joback Calculated Property
log10WS	-5.23		Crippen Calculated Property
logPoct/wat	4.117		Crippen Calculated Property
McVol	255.640	ml/mol	McGowan Calculated Property
Pc	1813.86	kPa	Joback Calculated Property
Inp	[2611.00; 2611.00]
Inp	2611.00		NIST
Inp	2611.00		NIST
Tboil	890.88	K	Joback Calculated Property
Tc	1119.91	K	Joback Calculated Property
Tfus	551.52	K	Joback Calculated Property
Vc	0.979	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[725.60; 780.36]	J/mol×K	[890.88; 1119.91]
Cp,gas	725.60	J/mol×K	890.88	Joback Calculated Property
Cp,gas	737.33	J/mol×K	929.05	Joback Calculated Property
Cp,gas	747.95	J/mol×K	967.22	Joback Calculated Property
Cp,gas	757.51	J/mol×K	1005.40	Joback Calculated Property
Cp,gas	766.07	J/mol×K	1043.57	Joback Calculated Property
Cp,gas	773.66	J/mol×K	1081.74	Joback Calculated Property
Cp,gas	780.36	J/mol×K	1119.91	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 3-phenylpropyl 2-chloro-6-fluorophenyl ester.

Sources

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

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