Chemical Properties of 1H-Naphtho[2,1-b]pyran, 3-ethenyldodecahydro-3,4a,7,7,10a-pentamethyl-, [3R-(3«alpha»,4a«beta»,6a«alpha»,10a«beta»,10b«alpha»)]- (CAS 596-84-9)

InChI

InChI=1S/C20H34O/c1-7-18(4)13-9-16-19(5)12-8-11-17(2,3)15(19)10-14-20(16,6)21-18/h7,15-16H,1,8-14H2,2-6H3/t15?,16?,18-,19+,20-/m1/s1

InChI Key

IGGWKHQYMAJOHK-DBYSVDLZSA-N

Formula

C20H34O

SMILES

C=CC1(C)CCC2C(C)(CCC3C(C)(C)CCCC32C)O1

Molecular Weight¹

290.48

CAS

596-84-9

Other Names

• Labd-14-ene, 8,13-epoxy-, (13R)-
• Manoyl oxide
• 8«alpha»,13-Epoxylabd-14-ene
• Manool oxide

• ω : Acentric Factor.
• 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).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.3965		Relay (1.0) Calculated Property
ΔfG°	195.90	kJ/mol	Joback Calculated Property
ΔfH°gas	-352.37	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	16.18	kJ/mol	Joback Calculated Property
ΔvapH°	79.71	kJ/mol	Relay (1.0) Calculated Property
IE	8.58	eV	Relay (1.0) Calculated Property
log10WS	-4.92		Relay (1.0) Calculated Property
logPoct/wat	5.743		Crippen Calculated Property
McVol	261.650	ml/mol	McGowan Calculated Property
Pc	1588.54	kPa	Joback Calculated Property
Inp	[1956.00; 2017.00]
Inp	1998.00		NIST
Inp	1998.00		NIST
Inp	Outlier 2017.00		NIST
Inp	1989.00		NIST
Inp	1989.00		NIST
Inp	1989.00		NIST
Inp	1989.00		NIST
Inp	1989.00		NIST
Inp	1989.00		NIST
Inp	1989.00		NIST
Inp	1994.00		NIST
Inp	1992.00		NIST
Inp	1989.00		NIST
Inp	1996.00		NIST
Inp	1998.00		NIST
Inp	2007.00		NIST
Inp	1985.00		NIST
Inp	1979.00		NIST
Inp	1990.00		NIST
Inp	1978.00		NIST
Inp	1990.00		NIST
Inp	1992.00		NIST
Inp	1989.00		NIST
Inp	1996.00		NIST
Inp	2002.00		NIST
Inp	1994.00		NIST
Inp	2001.00		NIST
Inp	1995.00		NIST
Inp	Outlier 1964.00		NIST
Inp	1990.00		NIST
Inp	1991.00		NIST
Inp	2015.00		NIST
Inp	1989.00		NIST
Inp	1989.00		NIST
Inp	1986.00		NIST
Inp	2010.00		NIST
Inp	1993.00		NIST
Inp	1996.00		NIST
Inp	1991.00		NIST
Inp	1991.00		NIST
Inp	Outlier 1956.00		NIST
Inp	1996.00		NIST
Inp	1989.00		NIST
Inp	1999.90		NIST
Inp	1990.00		NIST
Inp	1994.00		NIST
Inp	2011.00		NIST
Inp	1967.00		NIST
Inp	2003.00		NIST
Inp	2012.00		NIST
Inp	2002.00		NIST
Inp	1989.00		NIST
Inp	1990.00		NIST
Inp	1989.00		NIST
Inp	1993.00		NIST
Inp	1988.00		NIST
Inp	Outlier 1964.00		NIST
Inp	1989.00		NIST
Inp	1998.00		NIST
Inp	2000.00		NIST
Inp	1978.00		NIST
Inp	2000.00		NIST
Inp	1980.00		NIST
Inp	1999.00		NIST
Inp	1989.00		NIST
Inp	Outlier 1965.00		NIST
Inp	2004.00		NIST
Inp	1971.00		NIST
Inp	2009.00		NIST
Inp	Outlier 1957.00		NIST
Inp	Outlier 1965.00		NIST
Inp	1995.00		NIST
Inp	1985.00		NIST
Inp	2003.00		NIST
Inp	1997.00		NIST
Inp	1988.00		NIST
Inp	1998.00		NIST
Inp	1996.00		NIST
Inp	1998.00		NIST
Inp	1989.00		NIST
Inp	1977.00		NIST
Inp	1977.00		NIST
Inp	1982.00		NIST
Inp	1983.00		NIST
Inp	1999.90		NIST
Inp	1989.00		NIST
Inp	1994.00		NIST
Inp	2007.00		NIST
Inp	1990.00		NIST
Inp	1991.00		NIST
Inp	2010.00		NIST
Inp	Outlier 1956.00		NIST
Inp	1998.00		NIST
I	[2335.00; 2376.00]
I	2346.00		NIST
I	2335.00		NIST
I	2347.00		NIST
I	2348.00		NIST
I	2341.00		NIST
I	2345.00		NIST
I	2340.00		NIST
I	2339.00		NIST
I	2358.00		NIST
I	2376.00		NIST
I	2376.00		NIST
I	2376.00		NIST
I	2376.00		NIST
I	2376.00		NIST
I	2376.00		NIST
Tboil	601.81	K	Relay (1.0) Calculated Property
Tc	839.10	K	Relay (1.0) Calculated Property
Tfus	324.82	K	Relay (1.0) Calculated Property
Vc	0.945	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[821.83; 997.01]	J/mol×K	[709.15; 951.08]
Cp,gas	821.83	J/mol×K	709.15	Joback Calculated Property
Cp,gas	849.99	J/mol×K	749.47	Joback Calculated Property
Cp,gas	877.78	J/mol×K	789.79	Joback Calculated Property
Cp,gas	905.79	J/mol×K	830.12	Joback Calculated Property
Cp,gas	934.61	J/mol×K	870.44	Joback Calculated Property
Cp,gas	964.82	J/mol×K	910.76	Joback Calculated Property
Cp,gas	997.01	J/mol×K	951.08	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1H-Naphtho[2,1-b]pyran, 3-ethenyldodecahydro-3,4a,7,7,10a-pentamethyl-, [3R-(3«alpha»,4a«beta»,6a«alpha»,10a«beta»,10b«alpha»)]-.

Sources

• Cheméo Relay (1.0)
• 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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.