Chemical Properties of 1,2-Indandiol, diacetate, cis- (CAS 19597-96-7)

InChI

InChI=1S/C13H14O4/c1-8(14)16-12-7-10-5-3-4-6-11(10)13(12)17-9(2)15/h3-6,12-13H,7H2,1-2H3/t12-,13+/m1/s1

InChI Key

ZSAGZMJOVRIXMF-OLZOCXBDSA-N

Formula

C13H14O4

SMILES

CC(=O)OC1Cc2ccccc2C1OC(C)=O

Molecular Weight¹

234.25

CAS

19597-96-7

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• 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).
• 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, Ionization energy, 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	[238.05; 571.06]	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			-2.20200e+01
Coefficient B			1.11524e+00
Coefficient C			-6.23160e-04
Coefficient D			1.01000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	238.05	J/mol×K	273.00	Calculated Property
Cp,gas	299.01	J/mol×K	353.78	Calculated Property
Cp,gas	353.23	J/mol×K	434.56	Calculated Property
Cp,gas	401.03	J/mol×K	515.33	Calculated Property
Cp,gas	442.74	J/mol×K	596.11	Calculated Property
Cp,gas	478.68	J/mol×K	676.89	Calculated Property
Cp,gas	509.16	J/mol×K	757.67	Calculated Property
Cp,gas	534.50	J/mol×K	838.44	Calculated Property
Cp,gas	555.03	J/mol×K	919.22	Calculated Property
Cp,gas	571.06	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0018491; 0.0003839]	Pa×s	[373.57; 605.67]	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			-1.03956e+01
Coefficient B			1.53259e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			373.57
Temperature range, max.			605.67
η	0.0018491	Pa×s	373.57	Calculated Property
η	0.0014187	Pa×s	399.36	Calculated Property
η	0.0011241	Pa×s	425.15	Calculated Property
η	0.0009147	Pa×s	450.94	Calculated Property
η	0.0007611	Pa×s	476.73	Calculated Property
η	0.0006453	Pa×s	502.52	Calculated Property
η	0.0005560	Pa×s	528.31	Calculated Property
η	0.0004858	Pa×s	554.10	Calculated Property
η	0.0004296	Pa×s	579.88	Calculated Property
η	0.0003839	Pa×s	605.67	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Indandiol, diacetate, cis-.

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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