Chemical Properties of trans-Cinnamamide, N,N-dioctyl-3-trifluoromethyl-

InChI

InChI=1S/C26H40F3NO/c1-3-5-7-9-11-13-20-30(21-14-12-10-8-6-4-2)25(31)19-18-23-16-15-17-24(22-23)26(27,28)29/h15-19,22H,3-14,20-21H2,1-2H3/b19-18+

InChI Key

KNZBFZBYARYENM-VHEBQXMUSA-N

Formula

C26H40F3NO

SMILES

CCCCCCCCN(CCCCCCCC)C(=O)C=Cc1cccc(C(F)(F)F)c1

Molecular Weight¹

439.60

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	1.0389		Relay (1.0) Calculated Property
ΔfG°	-248.69	kJ/mol	Joback Calculated Property
ΔfH°gas	-994.09	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	63.40	kJ/mol	Joback Calculated Property
ΔvapH°	106.00	kJ/mol	Relay (1.0) Calculated Property
IE	8.72	eV	Relay (1.0) Calculated Property
log10WS	-7.71		Relay (1.0) Calculated Property
logPoct/wat	8.268		Crippen Calculated Property
McVol	366.000	ml/mol	McGowan Calculated Property
Pc	864.54	kPa	Joback Calculated Property
Inp	[2827.00; 2827.00]
Inp	2827.00		NIST
Inp	2827.00		NIST
Tboil	677.38	K	Relay (1.0) Calculated Property
Tc	866.90	K	Relay (1.0) Calculated Property
Tfus	336.28	K	Relay (1.0) Calculated Property
Vc	1.338	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1199.35; 1300.65]	J/mol×K	[890.99; 1090.90]
Cp,gas	1199.35	J/mol×K	890.99	Joback Calculated Property
Cp,gas	1218.49	J/mol×K	924.31	Joback Calculated Property
Cp,gas	1236.59	J/mol×K	957.63	Joback Calculated Property
Cp,gas	1253.76	J/mol×K	990.94	Joback Calculated Property
Cp,gas	1270.09	J/mol×K	1024.26	Joback Calculated Property
Cp,gas	1285.68	J/mol×K	1057.58	Joback Calculated Property
Cp,gas	1300.65	J/mol×K	1090.90	Joback Calculated Property

Similar Compounds

Find more compounds similar to trans-Cinnamamide, N,N-dioctyl-3-trifluoromethyl-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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