Chemical Properties of Fumaric acid, 2,5-dichlorophenyl 1,1,1-trifluoroprop-2-yl ester

InChI

InChI=1S/C13H9Cl2F3O4/c1-7(13(16,17)18)21-11(19)4-5-12(20)22-10-6-8(14)2-3-9(10)15/h2-7H,1H3/b5-4+

InChI Key

CHHUAKAMGRSGHY-SNAWJCMRSA-N

Formula

C13H9Cl2F3O4

SMILES

CC(OC(=O)C=CC(=O)Oc1cc(Cl)ccc1Cl)C(F)(F)F

Molecular Weight¹

357.11

• 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°	-843.78	kJ/mol	Joback Calculated Property
ΔfH°gas	-1104.28	kJ/mol	Joback Calculated Property
ΔfusH°	35.16	kJ/mol	Joback Calculated Property
ΔvapH°	71.04	kJ/mol	Joback Calculated Property
log10WS	-4.74		Crippen Calculated Property
logPoct/wat	3.949		Crippen Calculated Property
McVol	210.640	ml/mol	McGowan Calculated Property
Pc	2060.49	kPa	Joback Calculated Property
Inp	[1835.00; 1835.00]
Inp	1835.00		NIST
Inp	1835.00		NIST
Tboil	759.22	K	Joback Calculated Property
Tc	971.58	K	Joback Calculated Property
Tfus	476.00	K	Joback Calculated Property
Vc	0.819	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[536.74; 585.03]	J/mol×K	[759.22; 971.58]
Cp,gas	536.74	J/mol×K	759.22	Joback Calculated Property
Cp,gas	546.69	J/mol×K	794.61	Joback Calculated Property
Cp,gas	555.82	J/mol×K	830.01	Joback Calculated Property
Cp,gas	564.19	J/mol×K	865.40	Joback Calculated Property
Cp,gas	571.82	J/mol×K	900.80	Joback Calculated Property
Cp,gas	578.75	J/mol×K	936.19	Joback Calculated Property
Cp,gas	585.03	J/mol×K	971.58	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 2,5-dichlorophenyl 1,1,1-trifluoroprop-2-yl ester.

Sources

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

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