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

InChI

InChI=1S/C25H35FO5/c1-3-4-5-6-7-8-9-10-11-12-13-19-30-24(27)15-14-16-25(28)31-22-18-17-21(26)20-23(22)29-2/h17-18,20H,3-11,14-16,19H2,1-2H3

InChI Key

ZCDKEKMPILSXKY-UHFFFAOYSA-N

Formula

C25H35FO5

SMILES

CCCCCCCCCCC#CCOC(=O)CCCC(=O)Oc1ccc(F)cc1OC

Molecular Weight¹

434.54

• 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°	-312.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-891.37	kJ/mol	Joback Calculated Property
ΔfusH°	66.73	kJ/mol	Joback Calculated Property
ΔvapH°	96.90	kJ/mol	Joback Calculated Property
log10WS	-7.59		Crippen Calculated Property
logPoct/wat	5.987		Crippen Calculated Property
McVol	353.270	ml/mol	McGowan Calculated Property
Pc	1022.69	kPa	Joback Calculated Property
Inp	[3046.00; 3046.00]
Inp	3046.00		NIST
Inp	3046.00		NIST
Tboil	991.31	K	Joback Calculated Property
Tc	1213.64	K	Joback Calculated Property
Tfus	696.21	K	Joback Calculated Property
Vc	1.373	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1160.33; 1226.18]	J/mol×K	[991.31; 1213.64]
Cp,gas	1160.33	J/mol×K	991.31	Joback Calculated Property
Cp,gas	1175.29	J/mol×K	1028.37	Joback Calculated Property
Cp,gas	1188.62	J/mol×K	1065.42	Joback Calculated Property
Cp,gas	1200.36	J/mol×K	1102.48	Joback Calculated Property
Cp,gas	1210.52	J/mol×K	1139.53	Joback Calculated Property
Cp,gas	1219.12	J/mol×K	1176.59	Joback Calculated Property
Cp,gas	1226.18	J/mol×K	1213.64	Joback Calculated Property

Similar Compounds

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