Chemical Properties of (Phenylthio)acetic acid, undec-2-enyl ester

InChI

InChI=1S/C19H28O2S/c1-2-3-4-5-6-7-8-9-13-16-21-19(20)17-22-18-14-11-10-12-15-18/h9-15H,2-8,16-17H2,1H3/b13-9+

InChI Key

VGHZOGOKLCZGIS-UKTHLTGXSA-N

Formula

C19H28O2S

SMILES

CCCCCCCCC=CCOC(=O)CSc1ccccc1

Molecular Weight¹

320.49

• 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°	100.93	kJ/mol	Joback Calculated Property
ΔfH°gas	-284.67	kJ/mol	Joback Calculated Property
ΔfusH°	46.13	kJ/mol	Joback Calculated Property
ΔvapH°	76.09	kJ/mol	Joback Calculated Property
log10WS	-5.95		Crippen Calculated Property
logPoct/wat	5.629		Crippen Calculated Property
McVol	274.300	ml/mol	McGowan Calculated Property
Pc	1483.85	kPa	Joback Calculated Property
Inp	[2393.00; 2393.00]
Inp	2393.00		NIST
Inp	2393.00		NIST
Tboil	810.03	K	Joback Calculated Property
Tc	1019.99	K	Joback Calculated Property
Tfus	431.79	K	Joback Calculated Property
Vc	1.050	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[806.87; 891.06]	J/mol×K	[810.03; 1019.99]
Cp,gas	806.87	J/mol×K	810.03	Joback Calculated Property
Cp,gas	823.53	J/mol×K	845.02	Joback Calculated Property
Cp,gas	839.07	J/mol×K	880.02	Joback Calculated Property
Cp,gas	853.55	J/mol×K	915.01	Joback Calculated Property
Cp,gas	867.00	J/mol×K	950.00	Joback Calculated Property
Cp,gas	879.49	J/mol×K	985.00	Joback Calculated Property
Cp,gas	891.06	J/mol×K	1019.99	Joback Calculated Property

Similar Compounds

Find more compounds similar to (Phenylthio)acetic acid, undec-2-enyl 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.