Chemical Properties of 2«beta»-hydroxy-6«beta»-hydroxy-trans-decalin

InChI

InChI=1S/C10H18O2/c11-9-3-1-7-5-10(12)4-2-8(7)6-9/h7-12H,1-6H2/t7?,8?,9-,10-/m1/s1

InChI Key

OIXGILBUABDWRY-YDYPAMBWSA-N

Formula

C10H18O2

SMILES

OC1CCC2CC(O)CCC2C1

Molecular Weight¹

170.25

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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.
• I_p : 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
ΔfH°gas	-460.03	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	19.84	kJ/mol	Joback Calculated Property
ΔvapH°	106.30	kJ/mol	Relay (1.0) Calculated Property
IE	9.07	eV	Relay (1.0) Calculated Property
logPoct/wat	1.308		Crippen Calculated Property
McVol	141.780	ml/mol	McGowan Calculated Property
Inp	1499.00		NIST
Ip	[2659.00; 2659.00]
Ip	2659.00		NIST
Ip	2659.00		NIST
Tboil	561.35	K	Relay (1.0) Calculated Property
Tfus	425.16	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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	[180.70; 552.49]	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			-1.04710e+02
Coefficient B			1.23220e+00
Coefficient C			-7.25000e-04
Coefficient D			1.50000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	180.70	J/mol×K	273.00	Calculated Property
Cp,gas	247.12	J/mol×K	353.78	Calculated Property
Cp,gas	306.15	J/mol×K	434.56	Calculated Property
Cp,gas	358.28	J/mol×K	515.33	Calculated Property
Cp,gas	403.96	J/mol×K	596.11	Calculated Property
Cp,gas	443.69	J/mol×K	676.89	Calculated Property
Cp,gas	477.94	J/mol×K	757.67	Calculated Property
Cp,gas	507.17	J/mol×K	838.44	Calculated Property
Cp,gas	531.86	J/mol×K	919.22	Calculated Property
Cp,gas	552.49	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0173220; 0.0001199]	Pa×s	[337.42; 579.39]	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			-1.59627e+01
Coefficient B			4.01764e+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.			337.42
Temperature range, max.			579.39
η	0.0173220	Pa×s	337.42	Calculated Property
η	0.0071941	Pa×s	364.31	Calculated Property
η	0.0033714	Pa×s	391.19	Calculated Property
η	0.0017417	Pa×s	418.08	Calculated Property
η	0.0009746	Pa×s	444.96	Calculated Property
η	0.0005826	Pa×s	471.85	Calculated Property
η	0.0003682	Pa×s	498.73	Calculated Property
η	0.0002438	Pa×s	525.62	Calculated Property
η	0.0001681	Pa×s	552.50	Calculated Property
η	0.0001199	Pa×s	579.39	Calculated Property

Similar Compounds

Find more compounds similar to 2«beta»-hydroxy-6«beta»-hydroxy-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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