Chemical Properties of Phthalic acid, decyl 2,3,6-trifluorobenzyl ester

InChI

InChI=1S/C25H29F3O4/c1-2-3-4-5-6-7-8-11-16-31-24(29)18-12-9-10-13-19(18)25(30)32-17-20-21(26)14-15-22(27)23(20)28/h9-10,12-15H,2-8,11,16-17H2,1H3

InChI Key

JIVGOKSNLUUBTO-UHFFFAOYSA-N

Formula

C25H29F3O4

SMILES

CCCCCCCCCCOC(=O)c1ccccc1C(=O)OCc1c(F)ccc(F)c1F

Molecular Weight¹

450.49

• 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°	-706.35	kJ/mol	Joback Calculated Property
ΔfH°gas	-1210.08	kJ/mol	Joback Calculated Property
ΔfusH°	61.85	kJ/mol	Joback Calculated Property
ΔvapH°	94.30	kJ/mol	Joback Calculated Property
log10WS	-8.83		Crippen Calculated Property
logPoct/wat	6.758		Crippen Calculated Property
McVol	335.780	ml/mol	McGowan Calculated Property
Pc	1068.66	kPa	Joback Calculated Property
Inp	[2915.00; 2915.00]
Inp	2915.00		NIST
Inp	2915.00		NIST
Tboil	995.07	K	Joback Calculated Property
Tc	1218.25	K	Joback Calculated Property
Tfus	620.52	K	Joback Calculated Property
Vc	1.321	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1094.27; 1153.81]	J/mol×K	[995.07; 1218.25]
Cp,gas	1094.27	J/mol×K	995.07	Joback Calculated Property
Cp,gas	1107.71	J/mol×K	1032.27	Joback Calculated Property
Cp,gas	1119.70	J/mol×K	1069.46	Joback Calculated Property
Cp,gas	1130.26	J/mol×K	1106.66	Joback Calculated Property
Cp,gas	1139.44	J/mol×K	1143.86	Joback Calculated Property
Cp,gas	1147.27	J/mol×K	1181.05	Joback Calculated Property
Cp,gas	1153.81	J/mol×K	1218.25	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, decyl 2,3,6-trifluorobenzyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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