Chemical Properties of 1-Naphthalenepropanol, «alpha»-ethenyldecahydro-«alpha»,5,5,8a-tetramethyl-2-methylene-, [1S-[1«alpha»(R*),4a«beta»,8a«alpha»]]- (CAS 1438-62-6)

InChI

InChI=1S/C20H34O/c1-7-19(5,21)14-11-16-15(2)9-10-17-18(3,4)12-8-13-20(16,17)6/h7,16-17,21H,1-2,8-14H2,3-6H3/t16-,17-,19?,20+/m1/s1

InChI Key

CECREIRZLPLYDM-VMARMIPLSA-N

Formula

C20H34O

SMILES

C=CC(C)(O)CCC1C(=C)CCC2C(C)(C)CCCC12C

Molecular Weight¹

290.48

CAS

1438-62-6

Other Names

• Labda-8(20),14-dien-13-ol, (13S)-
• Epi-13-Manool
• Epimanool
• 13-Epimanool

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	171.16	kJ/mol	Joback Calculated Property
ΔfH°gas	-296.68	kJ/mol	Joback Calculated Property
ΔfusH°	19.21	kJ/mol	Joback Calculated Property
ΔvapH°	72.58	kJ/mol	Joback Calculated Property
log10WS	-6.10		Crippen Calculated Property
logPoct/wat	5.502		Crippen Calculated Property
McVol	268.210	ml/mol	McGowan Calculated Property
Pc	1499.99	kPa	Joback Calculated Property
Inp	[2036.00; 2076.00]
Inp	2057.00		NIST
Inp	2076.00		NIST
Inp	2056.00		NIST
Inp	2064.40		NIST
Inp	2036.00		NIST
Inp	2036.00		NIST
I	[2656.00; 2676.00]
I	2666.00		NIST
I	2660.00		NIST
I	2656.00		NIST
I	2676.00		NIST
I	2656.00		NIST
I	2666.00		NIST
Tboil	763.49	K	Joback Calculated Property
Tc	971.09	K	Joback Calculated Property
Tfus	451.44	K	Joback Calculated Property
Vc	1.004	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[857.58; 986.78]	J/mol×K	[763.49; 971.09]
Cp,gas	857.58	J/mol×K	763.49	Joback Calculated Property
Cp,gas	879.64	J/mol×K	798.09	Joback Calculated Property
Cp,gas	901.18	J/mol×K	832.69	Joback Calculated Property
Cp,gas	922.44	J/mol×K	867.29	Joback Calculated Property
Cp,gas	943.64	J/mol×K	901.89	Joback Calculated Property
Cp,gas	965.01	J/mol×K	936.49	Joback Calculated Property
Cp,gas	986.78	J/mol×K	971.09	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-Naphthalenepropanol, «alpha»-ethenyldecahydro-«alpha»,5,5,8a-tetramethyl-2-methylene-, [1S-[1«alpha»(R*),4a«beta»,8a«alpha»]]-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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