Chemical Properties of Glutaric acid, tridec-2-yn-1-yl 4-acetylphenyl ester

InChI

InChI=1S/C26H36O5/c1-3-4-5-6-7-8-9-10-11-12-13-21-30-25(28)15-14-16-26(29)31-24-19-17-23(18-20-24)22(2)27/h17-20H,3-11,14-16,21H2,1-2H3

InChI Key

LOTWSRXGDZTQKA-UHFFFAOYSA-N

Formula

C26H36O5

SMILES

CCCCCCCCCCC#CCOC(=O)CCCC(=O)Oc1ccc(C(C)=O)cc1

Molecular Weight¹

428.56

• 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°	-123.14	kJ/mol	Joback Calculated Property
ΔfH°gas	-684.79	kJ/mol	Joback Calculated Property
ΔfusH°	67.04	kJ/mol	Joback Calculated Property
ΔvapH°	103.62	kJ/mol	Joback Calculated Property
log10WS	-7.80		Crippen Calculated Property
logPoct/wat	6.042		Crippen Calculated Property
McVol	361.290	ml/mol	McGowan Calculated Property
Pc	1052.09	kPa	Joback Calculated Property
Inp	[3346.00; 3346.00]
Inp	3346.00		NIST
Inp	3346.00		NIST
Tboil	1041.39	K	Joback Calculated Property
Tc	1274.98	K	Joback Calculated Property
Tfus	722.07	K	Joback Calculated Property
Vc	1.399	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1198.88; 1260.62]	J/mol×K	[1041.39; 1274.98]
Cp,gas	1198.88	J/mol×K	1041.39	Joback Calculated Property
Cp,gas	1213.00	J/mol×K	1080.32	Joback Calculated Property
Cp,gas	1225.52	J/mol×K	1119.25	Joback Calculated Property
Cp,gas	1236.50	J/mol×K	1158.19	Joback Calculated Property
Cp,gas	1245.97	J/mol×K	1197.12	Joback Calculated Property
Cp,gas	1254.00	J/mol×K	1236.05	Joback Calculated Property
Cp,gas	1260.62	J/mol×K	1274.98	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, tridec-2-yn-1-yl 4-acetylphenyl ester.

Sources

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

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