Chemical Properties of Succinic acid, but-3-yn-2-yl 4-bromophenyl ester

InChI

InChI=1S/C14H13BrO4/c1-3-10(2)18-13(16)8-9-14(17)19-12-6-4-11(15)5-7-12/h1,4-7,10H,8-9H2,2H3

InChI Key

VWFVOZUJAXCPNO-UHFFFAOYSA-N

Formula

C14H13BrO4

SMILES

C#CC(C)OC(=O)CCC(=O)Oc1ccc(Br)cc1

Molecular Weight¹

325.15

• 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	0.6520		Relay (1.0) Calculated Property
ΔfG°	-63.11	kJ/mol	Joback Calculated Property
ΔfH°gas	-443.16	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	35.98	kJ/mol	Joback Calculated Property
ΔvapH°	90.23	kJ/mol	Relay (1.0) Calculated Property
IE	8.64	eV	Relay (1.0) Calculated Property
log10WS	-4.16		Relay (1.0) Calculated Property
logPoct/wat	2.700		Crippen Calculated Property
McVol	208.140	ml/mol	McGowan Calculated Property
Pc	2687.42	kPa	Joback Calculated Property
Inp	[2083.00; 2083.00]
Inp	2083.00		NIST
Inp	2083.00		NIST
Tboil	612.01	K	Relay (1.0) Calculated Property
Tc	820.51	K	Relay (1.0) Calculated Property
Tfus	351.36	K	Relay (1.0) Calculated Property
Vc	0.715	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[527.44; 585.52]	J/mol×K	[759.80; 991.79]
Cp,gas	527.44	J/mol×K	759.80	Joback Calculated Property
Cp,gas	539.42	J/mol×K	798.46	Joback Calculated Property
Cp,gas	550.45	J/mol×K	837.13	Joback Calculated Property
Cp,gas	560.54	J/mol×K	875.79	Joback Calculated Property
Cp,gas	569.74	J/mol×K	914.46	Joback Calculated Property
Cp,gas	578.05	J/mol×K	953.12	Joback Calculated Property
Cp,gas	585.52	J/mol×K	991.79	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, but-3-yn-2-yl 4-bromophenyl ester.

Sources

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

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