Chemical Properties of Adipic acid, heptyl 2,2,3,3,4,4,5,5-octafluoropentyl ester

InChI

InChI=1S/C18H26F8O4/c1-2-3-4-5-8-11-29-13(27)9-6-7-10-14(28)30-12-16(21,22)18(25,26)17(23,24)15(19)20/h15H,2-12H2,1H3

InChI Key

WRRIKRUNUBDHET-UHFFFAOYSA-N

Formula

C18H26F8O4

SMILES

CCCCCCCOC(=O)CCCCC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F

Molecular Weight¹

458.38

• 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°	-1919.56	kJ/mol	Joback Calculated Property
ΔfH°gas	-2504.86	kJ/mol	Joback Calculated Property
ΔfusH°	46.82	kJ/mol	Joback Calculated Property
ΔvapH°	63.16	kJ/mol	Joback Calculated Property
log10WS	-6.34		Crippen Calculated Property
logPoct/wat	5.775		Crippen Calculated Property
McVol	293.520	ml/mol	McGowan Calculated Property
Pc	1008.45	kPa	Joback Calculated Property
Inp	[1944.00; 1944.00]
Inp	1944.00		NIST
Inp	1944.00		NIST
Tboil	747.85	K	Joback Calculated Property
Tc	916.31	K	Joback Calculated Property
Tfus	433.92	K	Joback Calculated Property
Vc	1.196	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[915.96; 994.86]	J/mol×K	[747.85; 916.31]
Cp,gas	915.96	J/mol×K	747.85	Joback Calculated Property
Cp,gas	931.19	J/mol×K	775.93	Joback Calculated Property
Cp,gas	945.53	J/mol×K	804.00	Joback Calculated Property
Cp,gas	959.02	J/mol×K	832.08	Joback Calculated Property
Cp,gas	971.71	J/mol×K	860.16	Joback Calculated Property
Cp,gas	983.64	J/mol×K	888.24	Joback Calculated Property
Cp,gas	994.86	J/mol×K	916.31	Joback Calculated Property

Similar Compounds

Find more compounds similar to Adipic acid, heptyl 2,2,3,3,4,4,5,5-octafluoropentyl 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.