Chemical Properties of Bicyclo[3.1.1]hept-2-ene-2-ethanol, 6,6-dimethyl- (CAS 128-50-7)

InChI

InChI=1S/C11H18O/c1-11(2)9-4-3-8(5-6-12)10(11)7-9/h3,9-10,12H,4-7H2,1-2H3

InChI Key

ROKSAUSPJGWCSM-UHFFFAOYSA-N

Formula

C11H18O

SMILES

CC1(C)C2CC=C(CCO)C1C2

Molecular Weight¹

166.26

CAS

128-50-7

Other Names

• 2-Norpinene-2-ethanol, 6,6-dimethyl-
• Homomyrtenol
• Nopol
• Nopol (terpene)
• 6,6-Dimethyl-2-norpinene-2-ethanol
• 6,6-Dimethylbicyclo-(3,1,1)-heptene-2-ethanol
• 6,6-Dimethyl-2-(2-hydroxyethyl)-2-norpinene
• 6,6-Dimethylbicyclo-(3.1.1)-2-heptene-2-ethanol
• Homomyretenol
• Ethanol, 2(6,6-dimethyl-2-bicyclo[3.1.1] heptenyl)-
• NSC 1284

• 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°	21.45	kJ/mol	Joback Calculated Property
ΔfH°gas	-241.95	kJ/mol	Joback Calculated Property
ΔfusH°	18.11	kJ/mol	Joback Calculated Property
ΔvapH°	56.25	kJ/mol	Joback Calculated Property
log10WS	-2.61		Crippen Calculated Property
logPoct/wat	2.361		Crippen Calculated Property
McVol	145.700	ml/mol	McGowan Calculated Property
Pc	2878.12	kPa	Joback Calculated Property
Inp	[1191.00; 1212.00]
Inp	1212.00		NIST
Inp	1191.00		NIST
Inp	1212.00		NIST
I	1827.00		NIST
Tboil	560.72	K	Joback Calculated Property
Tc	754.46	K	Joback Calculated Property
Tfus	339.85	K	Joback Calculated Property
Vc	0.559	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[383.10; 461.28]	J/mol×K	[560.72; 754.46]
Cp,gas	383.10	J/mol×K	560.72	Joback Calculated Property
Cp,gas	397.97	J/mol×K	593.01	Joback Calculated Property
Cp,gas	411.95	J/mol×K	625.30	Joback Calculated Property
Cp,gas	425.16	J/mol×K	657.59	Joback Calculated Property
Cp,gas	437.71	J/mol×K	689.88	Joback Calculated Property
Cp,gas	449.72	J/mol×K	722.17	Joback Calculated Property
Cp,gas	461.28	J/mol×K	754.46	Joback Calculated Property

Similar Compounds

Find more compounds similar to Bicyclo[3.1.1]hept-2-ene-2-ethanol, 6,6-dimethyl-.

Sources

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

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