Chemical Properties of trans-(3-Trifluoromethyl)cinnamic acid, 2-(1-adamantyl)ethyl ester

InChI

InChI=1S/C22H25F3O2/c23-22(24,25)19-3-1-2-15(11-19)4-5-20(26)27-7-6-21-12-16-8-17(13-21)10-18(9-16)14-21/h1-5,11,16-18H,6-10,12-14H2/b5-4+

InChI Key

XKDTWQBLOXEVMG-SNAWJCMRSA-N

Formula

C22H25F3O2

SMILES

O=C(C=Cc1cccc(C(F)(F)F)c1)OCCC12CC3CC(CC(C3)C1)C2

Molecular Weight¹

378.43

• 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°	-341.20	kJ/mol	Joback Calculated Property
ΔfH°gas	-789.87	kJ/mol	Joback Calculated Property
ΔfusH°	38.28	kJ/mol	Joback Calculated Property
ΔvapH°	71.32	kJ/mol	Joback Calculated Property
log10WS	-6.42		Crippen Calculated Property
logPoct/wat	5.868		Crippen Calculated Property
McVol	272.950	ml/mol	McGowan Calculated Property
Pc	1473.62	kPa	Joback Calculated Property
Inp	[2485.60; 2485.60]
Inp	2485.60		NIST
Inp	2485.60		NIST
Tboil	829.51	K	Joback Calculated Property
Tc	1049.22	K	Joback Calculated Property
Tfus	517.87	K	Joback Calculated Property
Vc	1.067	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[897.91; 1014.01]	J/mol×K	[829.51; 1049.22]
Cp,gas	897.91	J/mol×K	829.51	Joback Calculated Property
Cp,gas	917.52	J/mol×K	866.13	Joback Calculated Property
Cp,gas	936.69	J/mol×K	902.75	Joback Calculated Property
Cp,gas	955.67	J/mol×K	939.37	Joback Calculated Property
Cp,gas	974.72	J/mol×K	975.99	Joback Calculated Property
Cp,gas	994.08	J/mol×K	1012.60	Joback Calculated Property
Cp,gas	1014.01	J/mol×K	1049.22	Joback Calculated Property

Similar Compounds

Find more compounds similar to trans-(3-Trifluoromethyl)cinnamic acid, 2-(1-adamantyl)ethyl 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.