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

InChI

InChI=1S/C27H40O4/c1-3-5-6-7-8-9-10-11-12-13-16-23-30-26(28)21-17-22-27(29)31-25-20-15-14-19-24(25)18-4-2/h14-15,19-20H,3-12,17-18,21-23H2,1-2H3

InChI Key

BIGJDFNFGWQNRK-UHFFFAOYSA-N

Formula

C27H40O4

SMILES

CCCCCCCCCCC#CCOC(=O)CCCC(=O)Oc1ccccc1CCC

Molecular Weight¹

428.60

• 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°	14.20	kJ/mol	Joback Calculated Property
ΔfH°gas	-592.85	kJ/mol	Joback Calculated Property
ΔfusH°	68.03	kJ/mol	Joback Calculated Property
ΔvapH°	99.10	kJ/mol	Joback Calculated Property
log10WS	-8.36		Crippen Calculated Property
logPoct/wat	6.792		Crippen Calculated Property
McVol	373.810	ml/mol	McGowan Calculated Property
Pc	951.42	kPa	Joback Calculated Property
Inp	[3112.00; 3112.00]
Inp	3112.00		NIST
Inp	3112.00		NIST
Tboil	1010.40	K	Joback Calculated Property
Tc	1237.04	K	Joback Calculated Property
Tfus	683.41	K	Joback Calculated Property
Vc	1.450	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1249.45; 1325.85]	J/mol×K	[1010.40; 1237.04]
Cp,gas	1249.45	J/mol×K	1010.40	Joback Calculated Property
Cp,gas	1265.92	J/mol×K	1048.17	Joback Calculated Property
Cp,gas	1280.82	J/mol×K	1085.95	Joback Calculated Property
Cp,gas	1294.22	J/mol×K	1123.72	Joback Calculated Property
Cp,gas	1306.15	J/mol×K	1161.49	Joback Calculated Property
Cp,gas	1316.68	J/mol×K	1199.27	Joback Calculated Property
Cp,gas	1325.85	J/mol×K	1237.04	Joback Calculated Property

Similar Compounds

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

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.