Chemical Properties of Bicyclo[3.1.1]hept-3-en-2-ol, 4,6,6-trimethyl-, [1S-(1«alpha»,2«beta»,5«alpha»)]- (CAS 18881-04-4)

InChI

InChI=1S/C10H16O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-9,11H,5H2,1-3H3/t7?,8?,9-/m1/s1

InChI Key

WONIGEXYPVIKFS-AMDVSUOASA-N

Formula

C10H16O

SMILES

CC1=CC(O)C2CC1C2(C)C

Molecular Weight¹

152.23

CAS

18881-04-4

Other Names

• (-)-(Z)-Verbenol
• (-)-Verbenol
• (-)-cis-verbenol
• (1S,2S,5S)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-ol
• (1S,4S,5S)-cis-verbenol
• (1S-(1«alpha»,2«beta»,5«alpha»))-4,6,6-Trimethylbicyclo(3.1.1)hept-3-en-2-ol
• (S)-cis-verbenol
• Bicyclo(3.1.1)hept-3-en-2-ol, 4,6,6-trimethyl-, (1S,2S,5S)-
• S-(-)-cis-Verbenol

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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°	5.32	kJ/mol	Joback Calculated Property
ΔfH°gas	-241.65	kJ/mol	Joback Calculated Property
ΔfusH°	16.59	kJ/mol	Joback Calculated Property
ΔvapH°	53.72	kJ/mol	Joback Calculated Property
log10WS	-2.30		Crippen Calculated Property
logPoct/wat	1.969		Crippen Calculated Property
McVol	131.610	ml/mol	McGowan Calculated Property
Pc	3082.99	kPa	Joback Calculated Property
Inp	[1110.00; 1153.00]
Inp	1132.00		NIST
Inp	1128.00		NIST
Inp	1122.00		NIST
Inp	1153.00		NIST
Inp	1139.00		NIST
Inp	1131.00		NIST
Inp	1131.00		NIST
Inp	1132.00		NIST
Inp	1110.00		NIST
Inp	1132.00		NIST
Inp	1142.00		NIST
Inp	1141.00		NIST
Inp	1110.00		NIST
I	[1645.00; 1663.00]
I	1654.00		NIST
I	1660.00		NIST
I	Outlier 1645.00		NIST
I	1663.00		NIST
I	1663.00		NIST
I	1663.00		NIST
I	1663.00		NIST
Tboil	533.17	K	Joback Calculated Property
Tc	729.30	K	Joback Calculated Property
Tfus	324.34	K	Joback Calculated Property
Vc	0.502	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[336.85; 413.40]	J/mol×K	[533.17; 729.30]
Cp,gas	336.85	J/mol×K	533.17	Joback Calculated Property
Cp,gas	351.53	J/mol×K	565.86	Joback Calculated Property
Cp,gas	365.30	J/mol×K	598.55	Joback Calculated Property
Cp,gas	378.26	J/mol×K	631.23	Joback Calculated Property
Cp,gas	390.53	J/mol×K	663.92	Joback Calculated Property
Cp,gas	402.21	J/mol×K	696.61	Joback Calculated Property
Cp,gas	413.40	J/mol×K	729.30	Joback Calculated Property
ΔvapH	80.00	kJ/mol	298.15	Thermod...

Similar Compounds

Find more compounds similar to Bicyclo[3.1.1]hept-3-en-2-ol, 4,6,6-trimethyl-, [1S-(1«alpha»,2«beta»,5«alpha»)]-.

Sources

• Crippen Method
• Crippen Method
• Thermodynamic study of selected monoterpenes
• Joback Method
• McGowan Method
• NIST Webbook

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.