Chemical Properties of 2«alpha», 4a«beta», 8a«alpha»-Decahydro-2-naphthalenol (CAS 5779-35-1)

InChI

InChI=1S/C10H18O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h8-11H,1-7H2

InChI Key

UPMAOXLCTXPPAG-UHFFFAOYSA-N

Formula

C10H18O

SMILES

OC1CCC2CCCCC2C1

Molecular Weight¹

154.25

CAS

5779-35-1

Other Names

• 2«beta»-hydroxy-trans-decalin

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4824		Relay (1.0) Calculated Property
ΔfG°	-38.11	kJ/mol	Joback Calculated Property
ΔfH°gas	-314.82	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	14.68	kJ/mol	Joback Calculated Property
ΔvapH°	82.30	kJ/mol	Relay (1.0) Calculated Property
IE	9.24	eV	Relay (1.0) Calculated Property
log10WS	-2.86		Relay (1.0) Calculated Property
logPoct/wat	2.338		Crippen Calculated Property
McVol	135.910	ml/mol	McGowan Calculated Property
Pc	3231.98	kPa	Joback Calculated Property
Inp	[1284.00; 1284.00]
Inp	1284.00		NIST
Inp	1284.00		NIST
I	[1943.00; 1943.00]
I	1943.00		NIST
I	1943.00		NIST
Tboil	517.96	K	Relay (1.0) Calculated Property
Tc	758.84	K	Relay (1.0) Calculated Property
Tfus	342.13	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[165.93; 527.16]	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			-1.15940e+02
Coefficient B			1.22470e+00
Coefficient C			-7.50000e-04
Coefficient D			1.68400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	165.93	J/mol×K	273.00	Calculated Property
Cp,gas	230.92	J/mol×K	353.78	Calculated Property
Cp,gas	288.45	J/mol×K	434.56	Calculated Property
Cp,gas	339.06	J/mol×K	515.33	Calculated Property
Cp,gas	383.28	J/mol×K	596.11	Calculated Property
Cp,gas	421.64	J/mol×K	676.89	Calculated Property
Cp,gas	454.68	J/mol×K	757.67	Calculated Property
Cp,gas	482.92	J/mol×K	838.44	Calculated Property
Cp,gas	506.90	J/mol×K	919.22	Calculated Property
Cp,gas	527.16	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0185243; 0.0002682]	Pa×s	[280.84; 527.10]	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			-1.30534e+01
Coefficient B			2.54574e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			280.84
Temperature range, max.			527.10
η	0.0185243	Pa×s	280.84	Calculated Property
η	0.0082839	Pa×s	308.20	Calculated Property
η	0.0042240	Pa×s	335.56	Calculated Property
η	0.0023841	Pa×s	362.93	Calculated Property
η	0.0014580	Pa×s	390.29	Calculated Property
η	0.0009510	Pa×s	417.65	Calculated Property
η	0.0006537	Pa×s	445.01	Calculated Property
η	0.0004693	Pa×s	472.38	Calculated Property
η	0.0003494	Pa×s	499.74	Calculated Property
η	0.0002682	Pa×s	527.10	Calculated Property

Similar Compounds

Find more compounds similar to 2«alpha», 4a«beta», 8a«alpha»-Decahydro-2-naphthalenol.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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