Chemical Properties of trans-Anthracene, 1,2,3,4-tetrahydro-1,2-diol

InChI

InChI=1S/C14H14O2/c15-13-6-5-11-7-9-3-1-2-4-10(9)8-12(11)14(13)16/h1-4,7-8,13-16H,5-6H2/t13-,14-/m0/s1

InChI Key

OCFQOCVMVLZKPR-KBPBESRZSA-N

Formula

C14H14O2

SMILES

OC1CCc2cc3ccccc3cc2C1O

Molecular Weight¹

214.26

• 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).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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	[208.25; 551.73]	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			-8.54300e+01
Coefficient B			1.31500e+00
Coefficient C			-9.50840e-04
Coefficient D			2.73000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	208.25	J/mol×K	273.00	Calculated Property
Cp,gas	272.87	J/mol×K	353.78	Calculated Property
Cp,gas	328.86	J/mol×K	434.56	Calculated Property
Cp,gas	377.08	J/mol×K	515.33	Calculated Property
Cp,gas	418.41	J/mol×K	596.11	Calculated Property
Cp,gas	453.69	J/mol×K	676.89	Calculated Property
Cp,gas	483.80	J/mol×K	757.67	Calculated Property
Cp,gas	509.61	J/mol×K	838.44	Calculated Property
Cp,gas	531.96	J/mol×K	919.22	Calculated Property
Cp,gas	551.73	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012923; 0.0000715]	Pa×s	[463.52; 684.90]	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			-1.56068e+01
Coefficient B			4.15104e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			463.52
Temperature range, max.			684.90
η	0.0012923	Pa×s	463.52	Calculated Property
η	0.0008230	Pa×s	488.12	Calculated Property
η	0.0005473	Pa×s	512.72	Calculated Property
η	0.0003778	Pa×s	537.31	Calculated Property
η	0.0002694	Pa×s	561.91	Calculated Property
η	0.0001976	Pa×s	586.51	Calculated Property
η	0.0001486	Pa×s	611.11	Calculated Property
η	0.0001143	Pa×s	635.70	Calculated Property
η	0.0000896	Pa×s	660.30	Calculated Property
η	0.0000715	Pa×s	684.90	Calculated Property

Similar Compounds

Find more compounds similar to trans-Anthracene, 1,2,3,4-tetrahydro-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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