Chemical Properties of 1-Amino-5,6,7,8-tetrahydronaphthalene, TFA

InChI

InChI=1S/C12H12F3NO/c13-12(14,15)11(17)16-10-7-3-5-8-4-1-2-6-9(8)10/h3,5,7H,1-2,4,6H2,(H,16,17)

InChI Key

CCTAJRYHHDWLPA-UHFFFAOYSA-N

Formula

C12H12F3NO

SMILES

O=C(Nc1cccc2c1CCCC2)C(F)(F)F

Molecular Weight¹

243.22

Other Names

• 5-Amino-1,2,3,4-tetrahydronaphthalene, TFA

• 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°	-421.45	kJ/mol	Joback Calculated Property
ΔfH°gas	-646.63	kJ/mol	Joback Calculated Property
ΔfusH°	23.59	kJ/mol	Joback Calculated Property
ΔvapH°	55.73	kJ/mol	Joback Calculated Property
log10WS	-3.84		Crippen Calculated Property
logPoct/wat	3.066		Crippen Calculated Property
McVol	162.180	ml/mol	McGowan Calculated Property
Pc	2709.85	kPa	Joback Calculated Property
Inp	[272.80; 272.80]
Inp	272.80		NIST
Inp	272.80		NIST
Tboil	624.90	K	Joback Calculated Property
Tc	838.51	K	Joback Calculated Property
Tfus	401.90	K	Joback Calculated Property
Vc	0.633	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[431.20; 501.23]	J/mol×K	[624.90; 838.51]
Cp,gas	431.20	J/mol×K	624.90	Joback Calculated Property
Cp,gas	445.28	J/mol×K	660.50	Joback Calculated Property
Cp,gas	458.29	J/mol×K	696.10	Joback Calculated Property
Cp,gas	470.31	J/mol×K	731.71	Joback Calculated Property
Cp,gas	481.42	J/mol×K	767.31	Joback Calculated Property
Cp,gas	491.70	J/mol×K	802.91	Joback Calculated Property
Cp,gas	501.23	J/mol×K	838.51	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-Amino-5,6,7,8-tetrahydronaphthalene, TFA.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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