Chemical Properties of Succinic acid, tridec-2-yn-1-yl 3-ethylphenyl ester

InChI

InChI=1S/C25H36O4/c1-3-5-6-7-8-9-10-11-12-13-14-20-28-24(26)18-19-25(27)29-23-17-15-16-22(4-2)21-23/h15-17,21H,3-12,18-20H2,1-2H3

InChI Key

GNCUEHJCCRGNIR-UHFFFAOYSA-N

Formula

C25H36O4

SMILES

CCCCCCCCCCC#CCOC(=O)CCC(=O)Oc1cccc(CC)c1

Molecular Weight¹

400.55

• 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°	-2.64	kJ/mol	Joback Calculated Property
ΔfH°gas	-551.57	kJ/mol	Joback Calculated Property
ΔfusH°	62.85	kJ/mol	Joback Calculated Property
ΔvapH°	94.65	kJ/mol	Joback Calculated Property
log10WS	-7.52		Crippen Calculated Property
logPoct/wat	6.012		Crippen Calculated Property
McVol	345.630	ml/mol	McGowan Calculated Property
Pc	1074.98	kPa	Joback Calculated Property
Inp	[2932.00; 2932.00]
Inp	2932.00		NIST
Inp	2932.00		NIST
Tboil	964.64	K	Joback Calculated Property
Tc	1182.62	K	Joback Calculated Property
Tfus	660.87	K	Joback Calculated Property
Vc	1.337	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1125.74; 1202.13]	J/mol×K	[964.64; 1182.62]
Cp,gas	1125.74	J/mol×K	964.64	Joback Calculated Property
Cp,gas	1141.87	J/mol×K	1000.97	Joback Calculated Property
Cp,gas	1156.58	J/mol×K	1037.30	Joback Calculated Property
Cp,gas	1169.92	J/mol×K	1073.63	Joback Calculated Property
Cp,gas	1181.93	J/mol×K	1109.96	Joback Calculated Property
Cp,gas	1192.66	J/mol×K	1146.29	Joback Calculated Property
Cp,gas	1202.13	J/mol×K	1182.62	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, tridec-2-yn-1-yl 3-ethylphenyl ester.

Sources

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

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