Chemical Properties of Phthalic acid, decyl 4-trifluoromethoxybenzyl ester

InChI

InChI=1S/C26H31F3O5/c1-2-3-4-5-6-7-8-11-18-32-24(30)22-12-9-10-13-23(22)25(31)33-19-20-14-16-21(17-15-20)34-26(27,28)29/h9-10,12-17H,2-8,11,18-19H2,1H3

InChI Key

ZCJRWHLBNFHPEE-UHFFFAOYSA-N

Formula

C26H31F3O5

SMILES

CCCCCCCCCCOC(=O)c1ccccc1C(=O)OCc1ccc(OC(F)(F)F)cc1

Molecular Weight¹

480.52

• 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	1.1895		Relay (1.0) Calculated Property
ΔfG°	-780.83	kJ/mol	Joback Calculated Property
ΔfH°gas	-1503.85	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	58.99	kJ/mol	Joback Calculated Property
ΔvapH°	115.71	kJ/mol	Relay (1.0) Calculated Property
IE	9.05	eV	Relay (1.0) Calculated Property
log10WS	-7.76		Relay (1.0) Calculated Property
logPoct/wat	7.240		Crippen Calculated Property
McVol	355.740	ml/mol	McGowan Calculated Property
Pc	1025.31	kPa	Joback Calculated Property
Inp	[2884.00; 2884.00]
Inp	2884.00		NIST
Inp	2884.00		NIST
Tboil	701.39	K	Relay (1.0) Calculated Property
Tc	898.68	K	Relay (1.0) Calculated Property
Tfus	271.57	K	Relay (1.0) Calculated Property
Vc	1.320	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1183.99; 1241.21]	J/mol×K	[1027.18; 1257.70]
Cp,gas	1183.99	J/mol×K	1027.18	Joback Calculated Property
Cp,gas	1197.07	J/mol×K	1065.60	Joback Calculated Property
Cp,gas	1208.65	J/mol×K	1104.02	Joback Calculated Property
Cp,gas	1218.78	J/mol×K	1142.44	Joback Calculated Property
Cp,gas	1227.53	J/mol×K	1180.86	Joback Calculated Property
Cp,gas	1234.99	J/mol×K	1219.28	Joback Calculated Property
Cp,gas	1241.21	J/mol×K	1257.70	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, decyl 4-trifluoromethoxybenzyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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