Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, 2-fluorophenyl decyl ester

InChI

InChI=1S/C24H35FO4/c1-2-3-4-5-6-7-8-13-18-28-23(26)19-14-9-10-15-20(19)24(27)29-22-17-12-11-16-21(22)25/h11-12,16-17,19-20H,2-10,13-15,18H2,1H3

InChI Key

RCVJYHJQQZIGFX-UHFFFAOYSA-N

Formula

C24H35FO4

SMILES

CCCCCCCCCCOC(=O)C1CCCCC1C(=O)Oc1ccccc1F

Molecular Weight¹

406.53

• 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°	-391.93	kJ/mol	Joback Calculated Property
ΔfH°gas	-965.36	kJ/mol	Joback Calculated Property
ΔfusH°	53.13	kJ/mol	Joback Calculated Property
ΔvapH°	89.57	kJ/mol	Joback Calculated Property
log10WS	-7.09		Crippen Calculated Property
logPoct/wat	6.221		Crippen Calculated Property
McVol	331.050	ml/mol	McGowan Calculated Property
Pc	1120.80	kPa	Joback Calculated Property
Inp	[2816.00; 2816.00]
Inp	2816.00		NIST
Inp	2816.00		NIST
Tboil	946.91	K	Joback Calculated Property
Tc	1163.10	K	Joback Calculated Property
Tfus	547.23	K	Joback Calculated Property
Vc	1.270	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1125.91; 1201.62]	J/mol×K	[946.91; 1163.10]
Cp,gas	1125.91	J/mol×K	946.91	Joback Calculated Property
Cp,gas	1142.51	J/mol×K	982.94	Joback Calculated Property
Cp,gas	1157.46	J/mol×K	1018.97	Joback Calculated Property
Cp,gas	1170.82	J/mol×K	1055.01	Joback Calculated Property
Cp,gas	1182.60	J/mol×K	1091.04	Joback Calculated Property
Cp,gas	1192.86	J/mol×K	1127.07	Joback Calculated Property
Cp,gas	1201.62	J/mol×K	1163.10	Joback Calculated Property

Similar Compounds

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

Sources

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

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