Chemical Properties of Fumaric acid, 3,5-dimethylphenyl 2-chloro-6-fluorophenyl ester

InChI

InChI=1S/C18H14ClFO4/c1-11-8-12(2)10-13(9-11)23-16(21)6-7-17(22)24-18-14(19)4-3-5-15(18)20/h3-10H,1-2H3/b7-6+

InChI Key

QOXDHJNNPDWUNT-VOTSOKGWSA-N

Formula

C18H14ClFO4

SMILES

Cc1cc(C)cc(OC(=O)C=CC(=O)Oc2c(F)cccc2Cl)c1

Molecular Weight¹

348.75

• 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	0.8101		Relay (1.0) Calculated Property
ΔfG°	-307.38	kJ/mol	Joback Calculated Property
ΔfH°gas	-689.47	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	41.96	kJ/mol	Joback Calculated Property
ΔvapH°	105.17	kJ/mol	Relay (1.0) Calculated Property
IE	8.49	eV	Relay (1.0) Calculated Property
log10WS	-6.04		Relay (1.0) Calculated Property
logPoct/wat	4.163		Crippen Calculated Property
McVol	241.550	ml/mol	McGowan Calculated Property
Pc	1920.30	kPa	Joback Calculated Property
Inp	[2486.00; 2486.00]
Inp	2486.00		NIST
Inp	2486.00		NIST
Tboil	621.64	K	Relay (1.0) Calculated Property
Tc	914.96	K	Relay (1.0) Calculated Property
Tfus	369.66	K	Relay (1.0) Calculated Property
Vc	0.861	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[666.56; 718.66]	J/mol×K	[877.96; 1110.69]
Cp,gas	666.56	J/mol×K	877.96	Joback Calculated Property
Cp,gas	677.90	J/mol×K	916.75	Joback Calculated Property
Cp,gas	688.14	J/mol×K	955.54	Joback Calculated Property
Cp,gas	697.30	J/mol×K	994.32	Joback Calculated Property
Cp,gas	705.42	J/mol×K	1033.11	Joback Calculated Property
Cp,gas	712.53	J/mol×K	1071.90	Joback Calculated Property
Cp,gas	718.66	J/mol×K	1110.69	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 3,5-dimethylphenyl 2-chloro-6-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.