Chemical Properties of Sebacic acid, di(1-(pentafluorophenyl)ethyl) ester

InChI

InChI=1S/C26H24F10O4/c1-11(15-17(27)21(31)25(35)22(32)18(15)28)39-13(37)9-7-5-3-4-6-8-10-14(38)40-12(2)16-19(29)23(33)26(36)24(34)20(16)30/h11-12H,3-10H2,1-2H3

InChI Key

PDVAHHFWCFZLRA-UHFFFAOYSA-N

Formula

C26H24F10O4

SMILES

CC(OC(=O)CCCCCCCCC(=O)OC(C)c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

590.45

• 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°	-2124.26	kJ/mol	Joback Calculated Property
ΔfH°gas	-2682.87	kJ/mol	Joback Calculated Property
ΔfusH°	76.62	kJ/mol	Joback Calculated Property
ΔvapH°	94.01	kJ/mol	Joback Calculated Property
log10WS	-10.87		Crippen Calculated Property
logPoct/wat	8.107		Crippen Calculated Property
McVol	362.260	ml/mol	McGowan Calculated Property
Pc	796.18	kPa	Joback Calculated Property
Inp	[2669.00; 2669.00]
Inp	2669.00		NIST
Inp	2669.00		NIST
Tboil	1041.84	K	Joback Calculated Property
Tc	1299.14	K	Joback Calculated Property
Tfus	681.04	K	Joback Calculated Property
Vc	1.492	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1194.21; 1234.94]	J/mol×K	[1041.84; 1299.14]
Cp,gas	1194.21	J/mol×K	1041.84	Joback Calculated Property
Cp,gas	1206.51	J/mol×K	1084.72	Joback Calculated Property
Cp,gas	1216.59	J/mol×K	1127.61	Joback Calculated Property
Cp,gas	1224.46	J/mol×K	1170.49	Joback Calculated Property
Cp,gas	1230.13	J/mol×K	1213.37	Joback Calculated Property
Cp,gas	1233.62	J/mol×K	1256.26	Joback Calculated Property
Cp,gas	1234.94	J/mol×K	1299.14	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, di(1-(pentafluorophenyl)ethyl) 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.