Chemical Properties of Phthalic acid, dodecyl 2-trifluoromethylbenzyl ester

InChI

InChI=1S/C28H35F3O4/c1-2-3-4-5-6-7-8-9-10-15-20-34-26(32)23-17-12-13-18-24(23)27(33)35-21-22-16-11-14-19-25(22)28(29,30)31/h11-14,16-19H,2-10,15,20-21H2,1H3

InChI Key

NMNXREAAKZBSGU-UHFFFAOYSA-N

Formula

C28H35F3O4

SMILES

CCCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCc1ccccc1C(F)(F)F

Molecular Weight¹

492.57

Other Names

• Phthalic acid, dodecyl 2-trifluorobenzyl ester

• 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	1.2078		Relay (1.0) Calculated Property
ΔfG°	-658.99	kJ/mol	Joback Calculated Property
ΔfH°gas	-1362.97	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	62.98	kJ/mol	Joback Calculated Property
ΔvapH°	124.07	kJ/mol	Relay (1.0) Calculated Property
IE	9.16	eV	Relay (1.0) Calculated Property
log10WS	-8.10		Relay (1.0) Calculated Property
logPoct/wat	8.140		Crippen Calculated Property
McVol	378.050	ml/mol	McGowan Calculated Property
Pc	919.39	kPa	Joback Calculated Property
Inp	[3111.00; 3111.00]
Inp	3111.00		NIST
Inp	3111.00		NIST
Tboil	710.92	K	Relay (1.0) Calculated Property
Tc	931.45	K	Relay (1.0) Calculated Property
Tfus	303.23	K	Relay (1.0) Calculated Property
Vc	1.405	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1279.35; 1347.34]	J/mol×K	[1050.52; 1287.63]
Cp,gas	1279.35	J/mol×K	1050.52	Joback Calculated Property
Cp,gas	1293.92	J/mol×K	1090.04	Joback Calculated Property
Cp,gas	1307.06	J/mol×K	1129.56	Joback Calculated Property
Cp,gas	1318.86	J/mol×K	1169.07	Joback Calculated Property
Cp,gas	1329.44	J/mol×K	1208.59	Joback Calculated Property
Cp,gas	1338.90	J/mol×K	1248.11	Joback Calculated Property
Cp,gas	1347.34	J/mol×K	1287.63	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, dodecyl 2-trifluoromethylbenzyl ester.

Sources

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

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