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

InChI

InChI=1S/C22H27F5O4/c1-2-3-4-5-8-11-30-21(28)13-9-6-7-10-14(13)22(29)31-12-15-16(23)18(25)20(27)19(26)17(15)24/h13-14H,2-12H2,1H3

InChI Key

RSLWBYYETXSLTC-UHFFFAOYSA-N

Formula

C22H27F5O4

SMILES

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

Molecular Weight¹

450.44

• 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°	-1226.53	kJ/mol	Joback Calculated Property
ΔfH°gas	-1754.40	kJ/mol	Joback Calculated Property
ΔfusH°	58.71	kJ/mol	Joback Calculated Property
ΔvapH°	84.50	kJ/mol	Joback Calculated Property
log10WS	-7.42		Crippen Calculated Property
logPoct/wat	5.745		Crippen Calculated Property
McVol	309.950	ml/mol	McGowan Calculated Property
Pc	1085.63	kPa	Joback Calculated Property
Inp	[2450.00; 2450.00]
Inp	2450.00		NIST
Inp	2450.00		NIST
Tboil	918.15	K	Joback Calculated Property
Tc	1124.67	K	Joback Calculated Property
Tfus	577.13	K	Joback Calculated Property
Vc	1.230	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1029.50; 1097.48]	J/mol×K	[918.15; 1124.67]
Cp,gas	1029.50	J/mol×K	918.15	Joback Calculated Property
Cp,gas	1044.49	J/mol×K	952.57	Joback Calculated Property
Cp,gas	1058.00	J/mol×K	986.99	Joback Calculated Property
Cp,gas	1070.05	J/mol×K	1021.41	Joback Calculated Property
Cp,gas	1080.64	J/mol×K	1055.83	Joback Calculated Property
Cp,gas	1089.78	J/mol×K	1090.25	Joback Calculated Property
Cp,gas	1097.48	J/mol×K	1124.67	Joback Calculated Property

Similar Compounds

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