Chemical Properties of 5',6',7',8'-Tetrahydro-2'-acetonaphthone (CAS 774-55-0)

InChI

InChI=1S/C12H14O/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11/h6-8H,2-5H2,1H3

InChI Key

VEPUKHYQNXSSKV-UHFFFAOYSA-N

Formula

C12H14O

SMILES

CC(=O)c1ccc2c(c1)CCCC2

Molecular Weight¹

174.24

CAS

774-55-0

Other Names

• 6-Acetyl tetralin
• Ethanone, 1-(5,6,7,8-tetrahydro-2-naphthalenyl)-
• 1-(5,6,7,8-tetrahydro-2-naphthyl)ethan-1-one

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[178.22; 477.69]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-6.72700e+01
Coefficient B			1.08572e+00
Coefficient C			-7.36620e-04
Coefficient D			1.95860e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	178.22	J/mol×K	273.00	Calculated Property
Cp,gas	233.31	J/mol×K	353.78	Calculated Property
Cp,gas	281.51	J/mol×K	434.56	Calculated Property
Cp,gas	323.42	J/mol×K	515.33	Calculated Property
Cp,gas	359.67	J/mol×K	596.11	Calculated Property
Cp,gas	390.88	J/mol×K	676.89	Calculated Property
Cp,gas	417.67	J/mol×K	757.67	Calculated Property
Cp,gas	440.65	J/mol×K	838.44	Calculated Property
Cp,gas	460.45	J/mol×K	919.22	Calculated Property
Cp,gas	477.69	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0021469; 0.0003592]	Pa×s	[345.05; 570.13]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.06725e+01
Coefficient B			1.56267e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			345.05
Temperature range, max.			570.13
η	0.0021469	Pa×s	345.05	Calculated Property
η	0.0015808	Pa×s	370.06	Calculated Property
η	0.0012100	Pa×s	395.07	Calculated Property
η	0.0009561	Pa×s	420.08	Calculated Property
η	0.0007758	Pa×s	445.09	Calculated Property
η	0.0006436	Pa×s	470.10	Calculated Property
η	0.0005441	Pa×s	495.11	Calculated Property
η	0.0004675	Pa×s	520.12	Calculated Property
η	0.0004073	Pa×s	545.13	Calculated Property
η	0.0003592	Pa×s	570.13	Calculated Property

Similar Compounds

Find more compounds similar to 5',6',7',8'-Tetrahydro-2'-acetonaphthone.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.
These property values are available through the Cheméo API. A free account gives you an access key.