Chemical Properties of 3-Fluorobenzoic acid, tridec-2-ynyl ester

InChI

InChI=1S/C20H27FO2/c1-2-3-4-5-6-7-8-9-10-11-12-16-23-20(22)18-14-13-15-19(21)17-18/h13-15,17H,2-10,16H2,1H3

InChI Key

ZMNWOSBOEAOSQG-UHFFFAOYSA-N

Formula

C20H27FO2

SMILES

CCCCCCCCCCC#CCOC(=O)c1cccc(F)c1

Molecular Weight¹

318.43

• 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°	-5.63	kJ/mol	Joback Calculated Property
ΔfH°gas	-399.68	kJ/mol	Joback Calculated Property
ΔfusH°	50.20	kJ/mol	Joback Calculated Property
ΔvapH°	73.54	kJ/mol	Joback Calculated Property
log10WS	-6.86		Crippen Calculated Property
logPoct/wat	5.517		Crippen Calculated Property
McVol	269.510	ml/mol	McGowan Calculated Property
Pc	1412.25	kPa	Joback Calculated Property
Inp	[2293.30; 2293.30]
Inp	2293.30		NIST
Inp	2293.30		NIST
Tboil	773.22	K	Joback Calculated Property
Tc	972.76	K	Joback Calculated Property
Tfus	532.95	K	Joback Calculated Property
Vc	1.052	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[785.93; 873.65]	J/mol×K	[773.22; 972.76]
Cp,gas	785.93	J/mol×K	773.22	Joback Calculated Property
Cp,gas	803.01	J/mol×K	806.48	Joback Calculated Property
Cp,gas	819.06	J/mol×K	839.73	Joback Calculated Property
Cp,gas	834.12	J/mol×K	872.99	Joback Calculated Property
Cp,gas	848.21	J/mol×K	906.25	Joback Calculated Property
Cp,gas	861.38	J/mol×K	939.50	Joback Calculated Property
Cp,gas	873.65	J/mol×K	972.76	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Fluorobenzoic acid, tridec-2-ynyl 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.