Chemical Properties of Succinic acid, hex-4-yn-3-yl 1-bromo-3,3,3-trifluoroprop-2-yl ester

InChI

InChI=1S/C13H16BrF3O4/c1-3-5-9(4-2)20-11(18)6-7-12(19)21-10(8-14)13(15,16)17/h9-10H,4,6-8H2,1-2H3

InChI Key

GVRCSBLFNYCOBF-UHFFFAOYSA-N

Formula

C13H16BrF3O4

SMILES

CC#CC(CC)OC(=O)CCC(=O)OC(CBr)C(F)(F)F

Molecular Weight¹

373.16

• 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°	-778.61	kJ/mol	Joback Calculated Property
ΔfH°gas	-1110.26	kJ/mol	Joback Calculated Property
ΔfusH°	38.19	kJ/mol	Joback Calculated Property
ΔvapH°	66.91	kJ/mol	Joback Calculated Property
log10WS	-4.10		Crippen Calculated Property
logPoct/wat	2.981		Crippen Calculated Property
McVol	223.120	ml/mol	McGowan Calculated Property
Pc	1984.12	kPa	Joback Calculated Property
Inp	[1709.00; 1709.00]
Inp	1709.00		NIST
Inp	1709.00		NIST
Tboil	718.28	K	Joback Calculated Property
Tc	915.28	K	Joback Calculated Property
Tfus	520.68	K	Joback Calculated Property
Vc	0.867	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[593.73; 657.19]	J/mol×K	[718.28; 915.28]
Cp,gas	593.73	J/mol×K	718.28	Joback Calculated Property
Cp,gas	606.21	J/mol×K	751.11	Joback Calculated Property
Cp,gas	617.89	J/mol×K	783.95	Joback Calculated Property
Cp,gas	628.81	J/mol×K	816.78	Joback Calculated Property
Cp,gas	638.98	J/mol×K	849.61	Joback Calculated Property
Cp,gas	648.43	J/mol×K	882.45	Joback Calculated Property
Cp,gas	657.19	J/mol×K	915.28	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, hex-4-yn-3-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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