Chemical Properties of Glutaric acid, 2-chloro-6-fluorophenyl cis-hex-3-enyl ester

InChI

InChI=1S/C17H20ClFO4/c1-2-3-4-5-12-22-15(20)10-7-11-16(21)23-17-13(18)8-6-9-14(17)19/h3-4,6,8-9H,2,5,7,10-12H2,1H3/b4-3-

InChI Key

SDYCUMFRKNWNIE-ARJAWSKDSA-N

Formula

C17H20ClFO4

SMILES

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

Molecular Weight¹

342.79

• 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°	-408.95	kJ/mol	Joback Calculated Property
ΔfH°gas	-764.85	kJ/mol	Joback Calculated Property
ΔfusH°	46.10	kJ/mol	Joback Calculated Property
ΔvapH°	78.87	kJ/mol	Joback Calculated Property
log10WS	-5.29		Crippen Calculated Property
logPoct/wat	4.454		Crippen Calculated Property
McVol	251.220	ml/mol	McGowan Calculated Property
Pc	1616.77	kPa	Joback Calculated Property
Inp	[2318.00; 2318.00]
Inp	2318.00		NIST
Inp	2318.00		NIST
Tboil	818.44	K	Joback Calculated Property
Tc	1023.34	K	Joback Calculated Property
Tfus	502.56	K	Joback Calculated Property
Vc	0.975	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[711.69; 777.48]	J/mol×K	[818.44; 1023.34]
Cp,gas	711.69	J/mol×K	818.44	Joback Calculated Property
Cp,gas	724.91	J/mol×K	852.59	Joback Calculated Property
Cp,gas	737.20	J/mol×K	886.74	Joback Calculated Property
Cp,gas	748.57	J/mol×K	920.89	Joback Calculated Property
Cp,gas	759.06	J/mol×K	955.04	Joback Calculated Property
Cp,gas	768.69	J/mol×K	989.19	Joback Calculated Property
Cp,gas	777.48	J/mol×K	1023.34	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-chloro-6-fluorophenyl cis-hex-3-enyl ester.

Sources

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

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