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

InChI

InChI=1S/C26H38O4/c1-3-5-6-7-8-9-10-11-12-13-17-22-29-25(27)20-21-26(28)30-24(4-2)23-18-15-14-16-19-23/h14-16,18-19,24H,3-12,20-22H2,1-2H3

InChI Key

BDEYEIUWEBAEBW-UHFFFAOYSA-N

Formula

C26H38O4

SMILES

CCCCCCCCCCC#CCOC(=O)CCC(=O)OC(CC)c1ccccc1

Molecular Weight¹

414.58

• 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°	12.97	kJ/mol	Joback Calculated Property
ΔfH°gas	-566.02	kJ/mol	Joback Calculated Property
ΔfusH°	62.31	kJ/mol	Joback Calculated Property
ΔvapH°	95.82	kJ/mol	Joback Calculated Property
log10WS	-7.79		Crippen Calculated Property
logPoct/wat	6.538		Crippen Calculated Property
McVol	359.720	ml/mol	McGowan Calculated Property
Pc	1025.31	kPa	Joback Calculated Property
Inp	[2920.00; 2920.00]
Inp	2920.00		NIST
Inp	2920.00		NIST
Tboil	982.10	K	Joback Calculated Property
Tc	1203.17	K	Joback Calculated Property
Tfus	644.62	K	Joback Calculated Property
Vc	1.387	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1188.48; 1265.84]	J/mol×K	[982.10; 1203.17]
Cp,gas	1188.48	J/mol×K	982.10	Joback Calculated Property
Cp,gas	1204.86	J/mol×K	1018.94	Joback Calculated Property
Cp,gas	1219.78	J/mol×K	1055.79	Joback Calculated Property
Cp,gas	1233.28	J/mol×K	1092.63	Joback Calculated Property
Cp,gas	1245.43	J/mol×K	1129.48	Joback Calculated Property
Cp,gas	1256.26	J/mol×K	1166.32	Joback Calculated Property
Cp,gas	1265.84	J/mol×K	1203.17	Joback Calculated Property

Similar Compounds

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

Sources

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

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