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

InChI

InChI=1S/C21H20O5/c1-3-16(2)25-21(23)13-12-20(22)24-15-17-8-7-11-19(14-17)26-18-9-5-4-6-10-18/h1,4-11,14,16H,12-13,15H2,2H3

InChI Key

SSYLUZZXEPAMNQ-UHFFFAOYSA-N

Formula

C21H20O5

SMILES

C#CC(C)OC(=O)CCC(=O)OCc1cccc(Oc2ccccc2)c1

Molecular Weight¹

352.38

• 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°	-11.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-350.38	kJ/mol	Joback Calculated Property
ΔfusH°	44.05	kJ/mol	Joback Calculated Property
ΔvapH°	87.75	kJ/mol	Joback Calculated Property
log10WS	-4.97		Crippen Calculated Property
logPoct/wat	3.867		Crippen Calculated Property
McVol	271.380	ml/mol	McGowan Calculated Property
Pc	1801.56	kPa	Joback Calculated Property
Inp	[2568.00; 2568.00]
Inp	2568.00		NIST
Inp	2568.00		NIST
Tboil	902.90	K	Joback Calculated Property
Tc	1135.65	K	Joback Calculated Property
Tfus	590.31	K	Joback Calculated Property
Vc	1.018	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[809.23; 866.86]	J/mol×K	[902.90; 1135.65]
Cp,gas	809.23	J/mol×K	902.90	Joback Calculated Property
Cp,gas	822.18	J/mol×K	941.69	Joback Calculated Property
Cp,gas	833.74	J/mol×K	980.48	Joback Calculated Property
Cp,gas	843.95	J/mol×K	1019.28	Joback Calculated Property
Cp,gas	852.85	J/mol×K	1058.07	Joback Calculated Property
Cp,gas	860.48	J/mol×K	1096.86	Joback Calculated Property
Cp,gas	866.86	J/mol×K	1135.65	Joback Calculated Property

Similar Compounds

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

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.