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

InChI

InChI=1S/C26H38O4/c1-2-3-4-5-6-7-8-9-10-11-15-22-29-25(27)20-21-26(28)30-23-16-19-24-17-13-12-14-18-24/h12-14,17-18H,2-10,16,19-23H2,1H3

InChI Key

MNQIHPXYKQJRFC-UHFFFAOYSA-N

Formula

C26H38O4

SMILES

CCCCCCCCCCC#CCOC(=O)CCC(=O)OCCCc1ccccc1

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°	15.41	kJ/mol	Joback Calculated Property
ΔfH°gas	-560.74	kJ/mol	Joback Calculated Property
ΔfusH°	65.83	kJ/mol	Joback Calculated Property
ΔvapH°	96.21	kJ/mol	Joback Calculated Property
log10WS	-7.33		Crippen Calculated Property
logPoct/wat	6.020		Crippen Calculated Property
McVol	359.720	ml/mol	McGowan Calculated Property
Pc	1020.08	kPa	Joback Calculated Property
Inp	[3172.00; 3172.00]
Inp	3172.00		NIST
Inp	3172.00		NIST
Tboil	982.54	K	Joback Calculated Property
Tc	1203.28	K	Joback Calculated Property
Tfus	659.62	K	Joback Calculated Property
Vc	1.393	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1188.11; 1265.93]	J/mol×K	[982.54; 1203.28]
Cp,gas	1188.11	J/mol×K	982.54	Joback Calculated Property
Cp,gas	1204.53	J/mol×K	1019.33	Joback Calculated Property
Cp,gas	1219.50	J/mol×K	1056.12	Joback Calculated Property
Cp,gas	1233.07	J/mol×K	1092.91	Joback Calculated Property
Cp,gas	1245.30	J/mol×K	1129.70	Joback Calculated Property
Cp,gas	1256.23	J/mol×K	1166.49	Joback Calculated Property
Cp,gas	1265.93	J/mol×K	1203.28	Joback Calculated Property

Similar Compounds

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

Sources

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

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