Chemical Properties of trans-Tetralin-1,2-diol, diacetate

InChI

InChI=1S/C14H16O4/c1-9(15)17-13-8-7-11-5-3-4-6-12(11)14(13)18-10(2)16/h3-6,13-14H,7-8H2,1-2H3/t13-,14-/m1/s1

InChI Key

PWDTYDXUIYVSGG-ZIAGYGMSSA-N

Formula

C14H16O4

SMILES

CC(=O)OC1CCc2ccccc2C1OC(C)=O

Molecular Weight¹

248.27

• 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.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	31.51	kJ/mol	Joback Calculated Property
IE	8.50	eV	Relay (1.0) Calculated Property
logPoct/wat	2.169		Crippen Calculated Property
McVol	188.380	ml/mol	McGowan Calculated Property
Inp	[1705.00; 1705.00]
Inp	1705.00		NIST
Inp	1705.00		NIST
Tfus	308.87	K	Relay (1.0) Calculated Property

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, 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	[254.37; 624.43]	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			-2.80500e+01
Coefficient B			1.20064e+00
Coefficient C			-6.31160e-04
Coefficient D			8.30000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	254.37	J/mol×K	273.00	Calculated Property
Cp,gas	321.39	J/mol×K	353.78	Calculated Property
Cp,gas	381.32	J/mol×K	434.56	Calculated Property
Cp,gas	434.42	J/mol×K	515.33	Calculated Property
Cp,gas	480.96	J/mol×K	596.11	Calculated Property
Cp,gas	521.21	J/mol×K	676.89	Calculated Property
Cp,gas	555.41	J/mol×K	757.67	Calculated Property
Cp,gas	583.84	J/mol×K	838.44	Calculated Property
Cp,gas	606.76	J/mol×K	919.22	Calculated Property
Cp,gas	624.43	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0018184; 0.0002748]	Pa×s	[381.32; 626.77]	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			-1.11355e+01
Coefficient B			1.84012e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			381.32
Temperature range, max.			626.77
η	0.0018184	Pa×s	381.32	Calculated Property
η	0.0013177	Pa×s	408.59	Calculated Property
η	0.0009941	Pa×s	435.86	Calculated Property
η	0.0007753	Pa×s	463.14	Calculated Property
η	0.0006216	Pa×s	490.41	Calculated Property
η	0.0005101	Pa×s	517.68	Calculated Property
η	0.0004270	Pa×s	544.95	Calculated Property
η	0.0003635	Pa×s	572.23	Calculated Property
η	0.0003140	Pa×s	599.50	Calculated Property
η	0.0002748	Pa×s	626.77	Calculated Property

Similar Compounds

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

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.
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