Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, ethyl 3-fluorophenyl ester

InChI

InChI=1S/C16H19FO4/c1-2-20-15(18)13-8-3-4-9-14(13)16(19)21-12-7-5-6-11(17)10-12/h5-7,10,13-14H,2-4,8-9H2,1H3

InChI Key

CBUVXQYXBSAYEI-UHFFFAOYSA-N

Formula

C16H19FO4

SMILES

CCOC(=O)C1CCCCC1C(=O)Oc1cccc(F)c1

Molecular Weight¹

294.32

• 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°	-459.29	kJ/mol	Joback Calculated Property
ΔfH°gas	-800.24	kJ/mol	Joback Calculated Property
ΔfusH°	32.41	kJ/mol	Joback Calculated Property
ΔvapH°	71.76	kJ/mol	Joback Calculated Property
log10WS	-3.74		Crippen Calculated Property
logPoct/wat	3.101		Crippen Calculated Property
McVol	218.330	ml/mol	McGowan Calculated Property
Pc	2030.89	kPa	Joback Calculated Property
Inp	[2025.00; 2025.00]
Inp	2025.00		NIST
Inp	2025.00		NIST
Tboil	763.87	K	Joback Calculated Property
Tc	984.88	K	Joback Calculated Property
Tfus	457.07	K	Joback Calculated Property
Vc	0.822	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[653.08; 733.31]	J/mol×K	[763.87; 984.88]
Cp,gas	653.08	J/mol×K	763.87	Joback Calculated Property
Cp,gas	669.80	J/mol×K	800.70	Joback Calculated Property
Cp,gas	685.17	J/mol×K	837.54	Joback Calculated Property
Cp,gas	699.19	J/mol×K	874.37	Joback Calculated Property
Cp,gas	711.88	J/mol×K	911.21	Joback Calculated Property
Cp,gas	723.25	J/mol×K	948.04	Joback Calculated Property
Cp,gas	733.31	J/mol×K	984.88	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, ethyl 3-fluorophenyl ester.

Sources

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

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