Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, octyl pentafluorobenzyl ester

InChI

InChI=1S/C23H29F5O4/c1-2-3-4-5-6-9-12-31-22(29)14-10-7-8-11-15(14)23(30)32-13-16-17(24)19(26)21(28)20(27)18(16)25/h14-15H,2-13H2,1H3

InChI Key

LTGVCBUZBCGJPT-UHFFFAOYSA-N

Formula

C23H29F5O4

SMILES

CCCCCCCCOC(=O)C1CCCCC1C(=O)OCc1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

464.47

• 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	0.9862		Relay (1.0) Calculated Property
ΔfG°	-1218.11	kJ/mol	Joback Calculated Property
ΔfH°gas	-1622.32	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	61.30	kJ/mol	Joback Calculated Property
ΔvapH°	108.59	kJ/mol	Relay (1.0) Calculated Property
IE	9.22	eV	Relay (1.0) Calculated Property
log10WS	-7.89		Relay (1.0) Calculated Property
logPoct/wat	6.135		Crippen Calculated Property
McVol	324.040	ml/mol	McGowan Calculated Property
Pc	1020.08	kPa	Joback Calculated Property
Inp	[2544.00; 2544.00]
Inp	2544.00		NIST
Inp	2544.00		NIST
Tboil	657.03	K	Relay (1.0) Calculated Property
Tc	861.33	K	Relay (1.0) Calculated Property
Tfus	333.39	K	Relay (1.0) Calculated Property
Vc	1.195	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1089.86; 1157.12]	J/mol×K	[941.03; 1152.09]
Cp,gas	1089.86	J/mol×K	941.03	Joback Calculated Property
Cp,gas	1104.99	J/mol×K	976.21	Joback Calculated Property
Cp,gas	1118.53	J/mol×K	1011.38	Joback Calculated Property
Cp,gas	1130.50	J/mol×K	1046.56	Joback Calculated Property
Cp,gas	1140.92	J/mol×K	1081.74	Joback Calculated Property
Cp,gas	1149.78	J/mol×K	1116.91	Joback Calculated Property
Cp,gas	1157.12	J/mol×K	1152.09	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, octyl pentafluorobenzyl ester.

Sources

• Cheméo Relay (1.0)
• 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.