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

InChI

InChI=1S/C17H21FO4/c1-2-11-21-16(19)12-7-3-4-8-13(12)17(20)22-15-10-6-5-9-14(15)18/h5-6,9-10,12-13H,2-4,7-8,11H2,1H3

InChI Key

QKUHCCQYWXSVIK-UHFFFAOYSA-N

Formula

C17H21FO4

SMILES

CCCOC(=O)C1CCCCC1C(=O)Oc1ccccc1F

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	-4.16		Crippen Calculated Property
logPoct/wat	3.491		Crippen Calculated Property
McVol	232.420	ml/mol	McGowan Calculated Property
Pc	1865.94	kPa	Joback Calculated Property
Inp	[2116.00; 2116.00]
Inp	2116.00		NIST
Inp	2116.00		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 1,2-Cyclohexanedicarboxylic acid, 2-fluorophenyl propyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.