Chemical Properties of 1-Naphthalenepropanol, «alpha»-ethenyldecahydro-2-hydroxy-«alpha»,2,5,5,8a-pentamethyl-, [1R-[1«alpha»(R*),2«beta»,4a«beta»,8a«alpha»]]- (CAS 515-03-7)

InChI

InChI=1S/C20H36O2/c1-7-18(4,21)13-9-16-19(5)12-8-11-17(2,3)15(19)10-14-20(16,6)22/h7,15-16,21-22H,1,8-14H2,2-6H3/t15?,16-,18?,19?,20-/m0/s1

InChI Key

XVULBTBTFGYVRC-RBVQMXHFSA-N

Formula

C20H36O2

SMILES

C=CC(C)(O)CCC1C(C)(O)CCC2C(C)(C)CCCC21C

Molecular Weight¹

308.50

CAS

515-03-7

Other Names

• Labd-14-ene-8,13-diol, (13R)-
• Sclareol
• [1R-[1«alpha»(R*),2«beta»,4a«beta»,8a«alpha»]]-2-hydroxy-«alpha»,2,5,5,8a-pentamethyl-«alpha»-vinyldecahydronaphthalene-1-propan-1-ol

• 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.
• 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	0.7450		Relay (1.0) Calculated Property
ΔfG°	-31.94	kJ/mol	Joback Calculated Property
ΔfH°gas	-562.74	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	19.23	kJ/mol	Joback Calculated Property
ΔvapH°	113.80	kJ/mol	Relay (1.0) Calculated Property
IE	9.01	eV	Relay (1.0) Calculated Property
log10WS	-3.97		Relay (1.0) Calculated Property
logPoct/wat	4.697		Crippen Calculated Property
McVol	278.380	ml/mol	McGowan Calculated Property
Pc	1603.85	kPa	Joback Calculated Property
Inp	[2198.00; 2247.00]
Inp	2220.00		NIST
Inp	2225.00		NIST
Inp	2229.00		NIST
Inp	2200.00		NIST
Inp	2227.00		NIST
Inp	2227.00		NIST
Inp	2228.00		NIST
Inp	2238.70		NIST
Inp	2247.00		NIST
Inp	2209.00		NIST
Inp	2228.00		NIST
Inp	2220.00		NIST
Inp	2198.00		NIST
Inp	2198.00		NIST
Inp	2225.00		NIST
Inp	2228.00		NIST
Tboil	629.27	K	Relay (1.0) Calculated Property
Tc	867.62	K	Relay (1.0) Calculated Property
Tfus	374.31	K	Relay (1.0) Calculated Property
Vc	0.979	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[962.67; 1119.02]	J/mol×K	[852.08; 1058.33]
Cp,gas	962.67	J/mol×K	852.08	Joback Calculated Property
Cp,gas	986.26	J/mol×K	886.45	Joback Calculated Property
Cp,gas	1010.44	J/mol×K	920.83	Joback Calculated Property
Cp,gas	1035.51	J/mol×K	955.20	Joback Calculated Property
Cp,gas	1061.76	J/mol×K	989.58	Joback Calculated Property
Cp,gas	1089.50	J/mol×K	1023.95	Joback Calculated Property
Cp,gas	1119.02	J/mol×K	1058.33	Joback Calculated Property

Similar Compounds

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

Sources

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

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