Chemical Properties of 2«alpha»-hydroxy-6«alpha»-methoxy-trans-decalin

InChI

InChI=1S/C11H20O2/c1-13-11-5-3-8-6-10(12)4-2-9(8)7-11/h8-12H,2-7H2,1H3/t8?,9?,10-,11-/m0/s1

InChI Key

TUXPVWASPKOLEG-TVUZUIDESA-N

Formula

C11H20O2

SMILES

COC1CCC2CC(O)CCC2C1

Molecular Weight¹

184.28

• 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.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	19.53	kJ/mol	Joback Calculated Property
logPoct/wat	1.963		Crippen Calculated Property
McVol	155.870	ml/mol	McGowan Calculated Property
Inp	1448.00		NIST
I	[2188.00; 2188.00]
I	2188.00		NIST
I	2188.00		NIST
Tboil	553.00	K	Relay (1.0) Calculated Property
Tfus	372.19	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[204.82; 603.91]	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			-8.54100e+01
Coefficient B			1.23002e+00
Coefficient C			-6.38000e-04
Coefficient D			9.73000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	204.82	J/mol×K	273.00	Calculated Property
Cp,gas	274.20	J/mol×K	353.78	Calculated Property
Cp,gas	336.61	J/mol×K	434.56	Calculated Property
Cp,gas	392.34	J/mol×K	515.33	Calculated Property
Cp,gas	441.72	J/mol×K	596.11	Calculated Property
Cp,gas	485.04	J/mol×K	676.89	Calculated Property
Cp,gas	522.61	J/mol×K	757.67	Calculated Property
Cp,gas	554.74	J/mol×K	838.44	Calculated Property
Cp,gas	581.74	J/mol×K	919.22	Calculated Property
Cp,gas	603.91	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0080384; 0.0002303]	Pa×s	[310.10; 551.93]	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			-1.29315e+01
Coefficient B			2.51430e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			310.10
Temperature range, max.			551.93
η	0.0080384	Pa×s	310.10	Calculated Property
η	0.0042110	Pa×s	336.97	Calculated Property
η	0.0024270	Pa×s	363.84	Calculated Property
η	0.0015090	Pa×s	390.71	Calculated Property
η	0.0009973	Pa×s	417.58	Calculated Property
η	0.0006930	Pa×s	444.45	Calculated Property
η	0.0005020	Pa×s	471.32	Calculated Property
η	0.0003765	Pa×s	498.19	Calculated Property
η	0.0002908	Pa×s	525.06	Calculated Property
η	0.0002303	Pa×s	551.93	Calculated Property

Similar Compounds

Find more compounds similar to 2«alpha»-hydroxy-6«alpha»-methoxy-trans-decalin.

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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