Chemical Properties of Succinic acid, hept-2-yl 1-bromo-3,3,3-trifluoroprop-2-yl ester

InChI

InChI=1S/C14H22BrF3O4/c1-3-4-5-6-10(2)21-12(19)7-8-13(20)22-11(9-15)14(16,17)18/h10-11H,3-9H2,1-2H3

InChI Key

UUFMAXYQDGWBLV-UHFFFAOYSA-N

Formula

C14H22BrF3O4

SMILES

CCCCCC(C)OC(=O)CCC(=O)OC(CBr)C(F)(F)F

Molecular Weight¹

391.22

• 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°	-972.99	kJ/mol	Joback Calculated Property
ΔfH°gas	-1403.20	kJ/mol	Joback Calculated Property
ΔfusH°	37.65	kJ/mol	Joback Calculated Property
ΔvapH°	66.98	kJ/mol	Joback Calculated Property
log10WS	-4.73		Crippen Calculated Property
logPoct/wat	4.148		Crippen Calculated Property
McVol	245.810	ml/mol	McGowan Calculated Property
Pc	1598.72	kPa	Joback Calculated Property
Inp	[1746.00; 1746.00]
Inp	1746.00		NIST
Inp	1746.00		NIST
Tboil	732.16	K	Joback Calculated Property
Tc	914.22	K	Joback Calculated Property
Tfus	425.85	K	Joback Calculated Property
Vc	0.961	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[694.24; 764.93]	J/mol×K	[732.16; 914.22]
Cp,gas	694.24	J/mol×K	732.16	Joback Calculated Property
Cp,gas	707.94	J/mol×K	762.50	Joback Calculated Property
Cp,gas	720.84	J/mol×K	792.85	Joback Calculated Property
Cp,gas	732.96	J/mol×K	823.19	Joback Calculated Property
Cp,gas	744.34	J/mol×K	853.54	Joback Calculated Property
Cp,gas	754.98	J/mol×K	883.88	Joback Calculated Property
Cp,gas	764.93	J/mol×K	914.22	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, hept-2-yl 1-bromo-3,3,3-trifluoroprop-2-yl ester.

Sources

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

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