Chemical Properties of Glutaric acid, 2-chloro-6-fluorophenyl but-3-en-1-yl ester

InChI

InChI=1S/C15H16ClFO4/c1-2-3-10-20-13(18)8-5-9-14(19)21-15-11(16)6-4-7-12(15)17/h2,4,6-7H,1,3,5,8-10H2

InChI Key

WHRXVOGXXMQMBB-UHFFFAOYSA-N

Formula

C15H16ClFO4

SMILES

C=CCCOC(=O)CCCC(=O)Oc1c(F)cccc1Cl

Molecular Weight¹

314.74

• 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	0.7748		Relay (... Calculated Property
ΔfG°	-418.17	kJ/mol	Joback Calculated Property
ΔfH°gas	-810.03	kJ/mol	Relay (... Calculated Property
ΔfusH°	39.44	kJ/mol	Joback Calculated Property
ΔvapH°	88.93	kJ/mol	Relay (... Calculated Property
IE	8.86	eV	Relay (... Calculated Property
log10WS	-4.00		Relay (... Calculated Property
logPoct/wat	3.674		Crippen Calculated Property
McVol	223.040	ml/mol	McGowan Calculated Property
Pc	1882.17	kPa	Joback Calculated Property
Inp	[2082.00; 2082.00]
Inp	2082.00		NIST
Inp	2082.00		NIST
Tboil	595.27	K	Relay (... Calculated Property
Tc	811.59	K	Relay (... Calculated Property
Tfus	294.96	K	Relay (... Calculated Property
Vc	0.799	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[601.41; 663.65]	J/mol×K	[765.20; 969.16]
Cp,gas	601.41	J/mol×K	765.20	Joback Calculated Property
Cp,gas	613.92	J/mol×K	799.19	Joback Calculated Property
Cp,gas	625.56	J/mol×K	833.19	Joback Calculated Property
Cp,gas	636.34	J/mol×K	867.18	Joback Calculated Property
Cp,gas	646.28	J/mol×K	901.17	Joback Calculated Property
Cp,gas	655.38	J/mol×K	935.17	Joback Calculated Property
Cp,gas	663.65	J/mol×K	969.16	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-chloro-6-fluorophenyl but-3-en-1-yl ester.

Sources

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

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