Chemical Properties of trans-Indan-1,2-diol

InChI

InChI=1S/C9H12O2/c10-8-5-6-3-1-2-4-7(6)9(8)11/h1-4,6-11H,5H2/t6?,7?,8-,9-/m0/s1

InChI Key

WHWGIACBFRFQHW-PEBLOWIWSA-N

Formula

C9H12O2

SMILES

OC1CC2C=CC=CC2C1O

Molecular Weight¹

152.19

• 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).
• I_np : Non-polar retention indices.
• 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	[151.43; 436.52]	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			-8.31200e+01
Coefficient B			1.03480e+00
Coefficient C			-6.91560e-04
Coefficient D			1.76400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	151.43	J/mol×K	273.00	Calculated Property
Cp,gas	204.23	J/mol×K	353.78	Calculated Property
Cp,gas	250.44	J/mol×K	434.56	Calculated Property
Cp,gas	290.63	J/mol×K	515.33	Calculated Property
Cp,gas	325.36	J/mol×K	596.11	Calculated Property
Cp,gas	355.17	J/mol×K	676.89	Calculated Property
Cp,gas	380.64	J/mol×K	757.67	Calculated Property
Cp,gas	402.32	J/mol×K	838.44	Calculated Property
Cp,gas	420.76	J/mol×K	919.22	Calculated Property
Cp,gas	436.52	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0139990; 0.0001846]	Pa×s	[331.19; 558.92]	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			-1.48929e+01
Coefficient B			3.51859e+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.			331.19
Temperature range, max.			558.92
η	0.0139990	Pa×s	331.19	Calculated Property
η	0.0065858	Pa×s	356.49	Calculated Property
η	0.0034239	Pa×s	381.80	Calculated Property
η	0.0019309	Pa×s	407.10	Calculated Property
η	0.0011644	Pa×s	432.40	Calculated Property
η	0.0007426	Pa×s	457.71	Calculated Property
η	0.0004964	Pa×s	483.01	Calculated Property
η	0.0003454	Pa×s	508.31	Calculated Property
η	0.0002488	Pa×s	533.61	Calculated Property
η	0.0001846	Pa×s	558.92	Calculated Property

Similar Compounds

Find more compounds similar to trans-Indan-1,2-diol.

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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