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

InChI

InChI=1S/C14H20BrF3O4/c15-8-11(14(16,17)18)22-13(20)7-6-12(19)21-9-10-4-2-1-3-5-10/h10-11H,1-9H2

InChI Key

PDUADIKPVNPHLG-UHFFFAOYSA-N

Formula

C14H20BrF3O4

SMILES

O=C(CCC(=O)OC(CBr)C(F)(F)F)OCC1CCCCC1

Molecular Weight¹

389.20

• 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	0.7466		Relay (1.0) Calculated Property
ΔfG°	-946.10	kJ/mol	Joback Calculated Property
ΔfH°gas	-1545.60	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	33.01	kJ/mol	Joback Calculated Property
ΔvapH°	85.41	kJ/mol	Relay (1.0) Calculated Property
IE	10.19	eV	Relay (1.0) Calculated Property
log10WS	-4.32		Relay (1.0) Calculated Property
logPoct/wat	3.759		Crippen Calculated Property
McVol	234.950	ml/mol	McGowan Calculated Property
Pc	1883.80	kPa	Joback Calculated Property
Inp	[1918.00; 1918.00]
Inp	1918.00		NIST
Inp	1918.00		NIST
Tboil	607.04	K	Relay (1.0) Calculated Property
Tc	759.18	K	Relay (1.0) Calculated Property
Tfus	311.36	K	Relay (1.0) Calculated Property
Vc	0.825	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[687.09; 761.45]	J/mol×K	[752.15; 952.75]
Cp,gas	687.09	J/mol×K	752.15	Joback Calculated Property
Cp,gas	702.04	J/mol×K	785.58	Joback Calculated Property
Cp,gas	715.92	J/mol×K	819.02	Joback Calculated Property
Cp,gas	728.76	J/mol×K	852.45	Joback Calculated Property
Cp,gas	740.61	J/mol×K	885.89	Joback Calculated Property
Cp,gas	751.49	J/mol×K	919.32	Joback Calculated Property
Cp,gas	761.45	J/mol×K	952.75	Joback Calculated Property

Similar Compounds

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

Sources

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

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