Chemical Properties of Succinic acid, tridec-2-yn-1-yl trans-hex-3-en-1-yl ester

InChI

InChI=1S/C23H38O4/c1-3-5-7-9-10-11-12-13-14-15-17-21-27-23(25)19-18-22(24)26-20-16-8-6-4-2/h6,8H,3-5,7,9-14,16,18-21H2,1-2H3/b8-6+

InChI Key

HZWRTEIZCVZLLG-SOFGYWHQSA-N

Formula

C23H38O4

SMILES

CCC=CCCOC(=O)CCC(=O)OCC#CCCCCCCCCCC

Molecular Weight¹

378.55

• ω : Acentric Factor.
• 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).
• 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	0.9528		Relay (1.0) Calculated Property
ΔfG°	-42.04	kJ/mol	Joback Calculated Property
ΔfH°gas	-798.64	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	64.22	kJ/mol	Joback Calculated Property
ΔvapH°	110.36	kJ/mol	Relay (1.0) Calculated Property
IE	8.88	eV	Relay (1.0) Calculated Property
log10WS	-6.11		Relay (1.0) Calculated Property
logPoct/wat	5.744		Crippen Calculated Property
McVol	336.910	ml/mol	McGowan Calculated Property
Pc	1025.97	kPa	Joback Calculated Property
Inp	[2694.00; 2694.00]
Inp	2694.00		NIST
Inp	2694.00		NIST
Tboil	629.50	K	Relay (1.0) Calculated Property
Tc	816.64	K	Relay (1.0) Calculated Property
Tfus	269.76	K	Relay (1.0) Calculated Property
Vc	1.228	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1075.54; 1166.14]	J/mol×K	[891.38; 1092.62]
Cp,gas	1075.54	J/mol×K	891.38	Joback Calculated Property
Cp,gas	1093.40	J/mol×K	924.92	Joback Calculated Property
Cp,gas	1110.11	J/mol×K	958.46	Joback Calculated Property
Cp,gas	1125.70	J/mol×K	992.00	Joback Calculated Property
Cp,gas	1140.21	J/mol×K	1025.54	Joback Calculated Property
Cp,gas	1153.68	J/mol×K	1059.08	Joback Calculated Property
Cp,gas	1166.14	J/mol×K	1092.62	Joback Calculated Property

Similar Compounds

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

Sources

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

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