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

InChI

InChI=1S/C19H25FO4/c1-2-3-6-12-23-18(21)16-10-4-5-11-17(16)19(22)24-15-9-7-8-14(20)13-15/h7-9,13,16-17H,2-6,10-12H2,1H3

InChI Key

WGKOKCUYGXKFSS-UHFFFAOYSA-N

Formula

C19H25FO4

SMILES

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

Molecular Weight¹

336.40

• 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	0.7765		Relay (1.0) Calculated Property
ΔfG°	-434.03	kJ/mol	Joback Calculated Property
ΔfH°gas	-965.91	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	40.18	kJ/mol	Joback Calculated Property
ΔvapH°	97.29	kJ/mol	Relay (1.0) Calculated Property
IE	8.79	eV	Relay (1.0) Calculated Property
log10WS	-5.25		Relay (1.0) Calculated Property
logPoct/wat	4.271		Crippen Calculated Property
McVol	260.600	ml/mol	McGowan Calculated Property
Pc	1591.08	kPa	Joback Calculated Property
Inp	[2293.00; 2293.00]
Inp	2293.00		NIST
Inp	2293.00		NIST
Tboil	635.65	K	Relay (1.0) Calculated Property
Tc	859.96	K	Relay (1.0) Calculated Property
Tfus	317.82	K	Relay (1.0) Calculated Property
Vc	0.938	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[825.18; 904.99]	J/mol×K	[832.51; 1046.65]
Cp,gas	825.18	J/mol×K	832.51	Joback Calculated Property
Cp,gas	841.99	J/mol×K	868.20	Joback Calculated Property
Cp,gas	857.37	J/mol×K	903.89	Joback Calculated Property
Cp,gas	871.34	J/mol×K	939.58	Joback Calculated Property
Cp,gas	883.92	J/mol×K	975.27	Joback Calculated Property
Cp,gas	895.13	J/mol×K	1010.96	Joback Calculated Property
Cp,gas	904.99	J/mol×K	1046.65	Joback Calculated Property

Similar Compounds

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

Sources

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

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