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

414.59

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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	1.0674		Relay (1.0) Calculated Property
ΔfusH°	69.00	kJ/mol	Joback Calculated Property
ΔvapH°	128.97	kJ/mol	Relay (1.0) Calculated Property
IE	8.66	eV	Relay (1.0) Calculated Property
log10WS	-6.81		Relay (1.0) Calculated Property
logPoct/wat	6.020		Crippen Calculated Property
McVol	359.720	ml/mol	McGowan Calculated Property
Pc	968.68	kPa	Joback Calculated Property
Inp	[3172.00; 3172.00]
Inp	3172.00		NIST
Inp	3172.00		NIST
Tboil	681.87	K	Relay (1.0) Calculated Property
Tc	886.49	K	Relay (1.0) Calculated Property
Tfus	300.94	K	Relay (1.0) Calculated Property
Vc	1.321	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1173.17; 1250.56]	J/mol×K	[946.60; 1160.13]
Cp,gas	1173.17	J/mol×K	946.60	Joback Calculated Property
Cp,gas	1189.60	J/mol×K	982.19	Joback Calculated Property
Cp,gas	1204.55	J/mol×K	1017.78	Joback Calculated Property
Cp,gas	1218.07	J/mol×K	1053.37	Joback Calculated Property
Cp,gas	1230.21	J/mol×K	1088.95	Joback Calculated Property
Cp,gas	1241.02	J/mol×K	1124.54	Joback Calculated Property
Cp,gas	1250.56	J/mol×K	1160.13	Joback Calculated Property

Similar Compounds

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

Sources

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

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