Chemical Properties of Succinic acid, 2-fluorophenyl trans-4-methylcyclohexyl ester

InChI

InChI=1S/C17H21FO4/c1-12-6-8-13(9-7-12)21-16(19)10-11-17(20)22-15-5-3-2-4-14(15)18/h2-5,12-13H,6-11H2,1H3

InChI Key

LQOSKFXKEMTLOU-UHFFFAOYSA-N

Formula

C17H21FO4

SMILES

CC1CCC(OC(=O)CCC(=O)Oc2ccccc2F)CC1

Molecular Weight¹

308.34

• 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°	-450.87	kJ/mol	Joback Calculated Property
ΔfH°gas	-820.88	kJ/mol	Joback Calculated Property
ΔfusH°	35.00	kJ/mol	Joback Calculated Property
ΔvapH°	73.99	kJ/mol	Joback Calculated Property
log10WS	-4.51		Crippen Calculated Property
logPoct/wat	3.633		Crippen Calculated Property
McVol	232.420	ml/mol	McGowan Calculated Property
Pc	1865.94	kPa	Joback Calculated Property
Inp	[2171.00; 2171.00]
Inp	2171.00		NIST
Inp	2171.00		NIST
Tboil	786.75	K	Joback Calculated Property
Tc	1004.90	K	Joback Calculated Property
Tfus	468.34	K	Joback Calculated Property
Vc	0.877	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[709.58; 789.93]	J/mol×K	[786.75; 1004.90]
Cp,gas	709.58	J/mol×K	786.75	Joback Calculated Property
Cp,gas	726.37	J/mol×K	823.11	Joback Calculated Property
Cp,gas	741.79	J/mol×K	859.47	Joback Calculated Property
Cp,gas	755.83	J/mol×K	895.83	Joback Calculated Property
Cp,gas	768.53	J/mol×K	932.18	Joback Calculated Property
Cp,gas	779.89	J/mol×K	968.54	Joback Calculated Property
Cp,gas	789.93	J/mol×K	1004.90	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2-fluorophenyl trans-4-methylcyclohexyl ester.

Sources

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

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