Chemical Properties of 1-(2-Acetoxy-2-propyl)indene (CAS 42271-88-5)

InChI

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

InChI Key

OPRJCZZHDXMQBA-UHFFFAOYSA-N

Formula

C14H16O2

SMILES

CC(=O)OC(C)(C)C1C=Cc2ccccc21

Molecular Weight¹

216.28

CAS

42271-88-5

• 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	[232.73; 578.05]	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			-7.09700e+01
Coefficient B			1.36136e+00
Coefficient C			-9.86640e-04
Coefficient D			2.74300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	232.73	J/mol×K	273.00	Calculated Property
Cp,gas	299.31	J/mol×K	353.78	Calculated Property
Cp,gas	356.81	J/mol×K	434.56	Calculated Property
Cp,gas	406.10	J/mol×K	515.33	Calculated Property
Cp,gas	448.06	J/mol×K	596.11	Calculated Property
Cp,gas	483.53	J/mol×K	676.89	Calculated Property
Cp,gas	513.40	J/mol×K	757.67	Calculated Property
Cp,gas	538.53	J/mol×K	838.44	Calculated Property
Cp,gas	559.79	J/mol×K	919.22	Calculated Property
Cp,gas	578.05	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0021945; 0.0003336]	Pa×s	[349.93; 587.67]	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			-1.07784e+01
Coefficient B			1.62950e+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.			349.93
Temperature range, max.			587.67
η	0.0021945	Pa×s	349.93	Calculated Property
η	0.0015827	Pa×s	376.35	Calculated Property
η	0.0011914	Pa×s	402.76	Calculated Property
η	0.0009288	Pa×s	429.18	Calculated Property
η	0.0007453	Pa×s	455.59	Calculated Property
η	0.0006126	Pa×s	482.01	Calculated Property
η	0.0005139	Pa×s	508.42	Calculated Property
η	0.0004387	Pa×s	534.84	Calculated Property
η	0.0003801	Pa×s	561.25	Calculated Property
η	0.0003336	Pa×s	587.67	Calculated Property

Similar Compounds

Find more compounds similar to 1-(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

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