Chemical Properties of Succinic acid, 2-chloro-6-fluorophenyl cis-pent-2-en-1-yl ester

InChI

InChI=1S/C15H16ClFO4/c1-2-3-4-10-20-13(18)8-9-14(19)21-15-11(16)6-5-7-12(15)17/h3-7H,2,8-10H2,1H3/b4-3-

InChI Key

BCNOMFZMJHTICI-ARJAWSKDSA-N

Formula

C15H16ClFO4

SMILES

CCC=CCOC(=O)CCC(=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	0.7193		Relay (... Calculated Property
ΔfG°	-425.79	kJ/mol	Joback Calculated Property
ΔfH°gas	-840.79	kJ/mol	Relay (... Calculated Property
ΔfusH°	40.92	kJ/mol	Joback Calculated Property
ΔvapH°	89.52	kJ/mol	Relay (... Calculated Property
IE	8.77	eV	Relay (... Calculated Property
log10WS	-4.59		Relay (... Calculated Property
logPoct/wat	3.674		Crippen Calculated Property
McVol	223.040	ml/mol	McGowan Calculated Property
Pc	1898.60	kPa	Joback Calculated Property
Inp	[2097.00; 2097.00]
Inp	2097.00		NIST
Inp	2097.00		NIST
Tboil	577.19	K	Relay (... Calculated Property
Tc	803.57	K	Relay (... Calculated Property
Tfus	290.68	K	Relay (... Calculated Property
Vc	0.795	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[601.45; 663.89]	J/mol×K	[772.68; 979.96]
Cp,gas	601.45	J/mol×K	772.68	Joback Calculated Property
Cp,gas	613.96	J/mol×K	807.23	Joback Calculated Property
Cp,gas	625.60	J/mol×K	841.77	Joback Calculated Property
Cp,gas	636.40	J/mol×K	876.32	Joback Calculated Property
Cp,gas	646.36	J/mol×K	910.87	Joback Calculated Property
Cp,gas	655.52	J/mol×K	945.41	Joback Calculated Property
Cp,gas	663.89	J/mol×K	979.96	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2-chloro-6-fluorophenyl cis-pent-2-en-1-yl ester.

Sources

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

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