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

InChI

InChI=1S/C22H32F3NO/c1-3-5-7-9-16-26(17-10-8-6-4-2)21(27)15-14-19-12-11-13-20(18-19)22(23,24)25/h11-15,18H,3-10,16-17H2,1-2H3/b15-14+

InChI Key

WPLWCFFJRJYKCV-CCEZHUSRSA-N

Formula

C22H32F3NO

SMILES

CCCCCCN(CCCCCC)C(=O)C=Cc1cccc(C(F)(F)F)c1

Molecular Weight¹

383.49

• 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	0.8889		Relay (1.0) Calculated Property
ΔfG°	-282.37	kJ/mol	Joback Calculated Property
ΔfH°gas	-909.84	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	53.04	kJ/mol	Joback Calculated Property
ΔvapH°	91.77	kJ/mol	Relay (1.0) Calculated Property
IE	8.63	eV	Relay (1.0) Calculated Property
log10WS	-6.53		Relay (1.0) Calculated Property
logPoct/wat	6.708		Crippen Calculated Property
McVol	309.640	ml/mol	McGowan Calculated Property
Pc	1098.62	kPa	Joback Calculated Property
Inp	[2450.00; 2450.00]
Inp	2450.00		NIST
Inp	2450.00		NIST
Tboil	645.92	K	Relay (1.0) Calculated Property
Tc	833.47	K	Relay (1.0) Calculated Property
Tfus	331.20	K	Relay (1.0) Calculated Property
Vc	1.122	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[955.17; 1046.62]	J/mol×K	[799.47; 987.14]
Cp,gas	955.17	J/mol×K	799.47	Joback Calculated Property
Cp,gas	972.60	J/mol×K	830.75	Joback Calculated Property
Cp,gas	989.05	J/mol×K	862.03	Joback Calculated Property
Cp,gas	1004.61	J/mol×K	893.31	Joback Calculated Property
Cp,gas	1019.33	J/mol×K	924.58	Joback Calculated Property
Cp,gas	1033.31	J/mol×K	955.86	Joback Calculated Property
Cp,gas	1046.62	J/mol×K	987.14	Joback Calculated Property

Similar Compounds

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

Sources

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

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