Chemical Properties of Sebacic acid, hexyl 4-trifluoromethoxybenzyl ester

InChI

InChI=1S/C24H35F3O5/c1-2-3-4-11-18-30-22(28)12-9-7-5-6-8-10-13-23(29)31-19-20-14-16-21(17-15-20)32-24(25,26)27/h14-17H,2-13,18-19H2,1H3

InChI Key

PPIVQOUXZSTBOX-UHFFFAOYSA-N

Formula

C24H35F3O5

SMILES

CCCCCCOC(=O)CCCCCCCCC(=O)OCc1ccc(OC(F)(F)F)cc1

Molecular Weight¹

460.53

• 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	1.1744		Relay (1.0) Calculated Property
ΔfG°	-900.45	kJ/mol	Joback Calculated Property
ΔfH°gas	-1706.24	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	60.16	kJ/mol	Joback Calculated Property
ΔvapH°	109.55	kJ/mol	Relay (1.0) Calculated Property
IE	9.00	eV	Relay (1.0) Calculated Property
log10WS	-6.79		Relay (1.0) Calculated Property
logPoct/wat	6.873		Crippen Calculated Property
McVol	351.320	ml/mol	McGowan Calculated Property
Pc	948.50	kPa	Joback Calculated Property
Inp	[2598.00; 2598.00]
Inp	2598.00		NIST
Inp	2598.00		NIST
Tboil	665.06	K	Relay (1.0) Calculated Property
Tc	812.32	K	Relay (1.0) Calculated Property
Tfus	280.53	K	Relay (1.0) Calculated Property
Vc	1.319	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1170.07; 1245.49]	J/mol×K	[949.76; 1163.59]
Cp,gas	1170.07	J/mol×K	949.76	Joback Calculated Property
Cp,gas	1186.04	J/mol×K	985.40	Joback Calculated Property
Cp,gas	1200.58	J/mol×K	1021.04	Joback Calculated Property
Cp,gas	1213.75	J/mol×K	1056.68	Joback Calculated Property
Cp,gas	1225.59	J/mol×K	1092.32	Joback Calculated Property
Cp,gas	1236.15	J/mol×K	1127.95	Joback Calculated Property
Cp,gas	1245.49	J/mol×K	1163.59	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, hexyl 4-trifluoromethoxybenzyl 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.