Chemical Properties of 3-(2-Acetoxy-2-propyl)indene (CAS 42447-90-5)

InChI

InChI=1S/C14H16O2/c1-10(15)16-14(2,3)13-9-8-11-6-4-5-7-12(11)13/h4-7,9H,8H2,1-3H3

InChI Key

AQCVGMNRJOFKDO-UHFFFAOYSA-N

Formula

C14H16O2

SMILES

CC(=O)OC(C)(C)C1=CCc2ccccc21

Molecular Weight¹

216.28

CAS

42447-90-5

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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	[233.01; 568.35]	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			-6.26100e+01
Coefficient B			1.32836e+00
Coefficient C			-9.75000e-04
Coefficient D			2.77600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	233.01	J/mol×K	273.00	Calculated Property
Cp,gas	297.60	J/mol×K	353.78	Calculated Property
Cp,gas	353.30	J/mol×K	434.56	Calculated Property
Cp,gas	401.00	J/mol×K	515.33	Calculated Property
Cp,gas	441.58	J/mol×K	596.11	Calculated Property
Cp,gas	475.91	J/mol×K	676.89	Calculated Property
Cp,gas	504.88	J/mol×K	757.67	Calculated Property
Cp,gas	529.35	J/mol×K	838.44	Calculated Property
Cp,gas	550.22	J/mol×K	919.22	Calculated Property
Cp,gas	568.35	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0019617; 0.0002902]	Pa×s	[366.69; 595.06]	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			-1.12134e+01
Coefficient B			1.82593e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			366.69
Temperature range, max.			595.06
η	0.0019617	Pa×s	366.69	Calculated Property
η	0.0014213	Pa×s	392.06	Calculated Property
η	0.0010709	Pa×s	417.44	Calculated Property
η	0.0008334	Pa×s	442.81	Calculated Property
η	0.0006665	Pa×s	468.19	Calculated Property
η	0.0005454	Pa×s	493.56	Calculated Property
η	0.0004552	Pa×s	518.94	Calculated Property
η	0.0003863	Pa×s	544.31	Calculated Property
η	0.0003327	Pa×s	569.68	Calculated Property
η	0.0002902	Pa×s	595.06	Calculated Property

Similar Compounds

Find more compounds similar to 3-(2-Acetoxy-2-propyl)indene.

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.