Chemical Properties of trans-2-Pinanol (CAS 4948-29-2)

InChI

InChI=1S/C10H18O/c1-9(2)7-4-5-10(3,11)8(9)6-7/h7-8,11H,4-6H2,1-3H3/t7?,8?,10-/m1/s1

InChI Key

YYWZKGZIIKPPJZ-SFVIPPHHSA-N

Formula

C10H18O

SMILES

CC1(O)CCC2CC1C2(C)C

Molecular Weight¹

154.25

CAS

4948-29-2

Other Names

• Bicyclo(3.1.1)heptan-2-ol, 2,6,6-trimethyl-, (1«alpha»,2«beta»,5«alpha»)-
• Pinan-2«beta»-ol
• 2-Pinanol, trans-
• 2,6,6-Trimethylbicyclo(3.1.1)heptan-2-ol, (1«alpha»,2«beta»,5«alpha»)-
• 2,6,6-Trimethylbicyclo[3.1.1]heptan-2-ol-, (1R,2R,5S)-rel-
• (E)-Pinan-2-ol
• trans-Pinan-2-ol
• trans-Pinene hydrate
• (E)-Pinene hydrate
• NSC 2326

• 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°	-20.50	kJ/mol	Joback Calculated Property
ΔfH°gas	-272.72	kJ/mol	Joback Calculated Property
ΔfusH°	9.46	kJ/mol	Joback Calculated Property
ΔvapH°	51.61	kJ/mol	Joback Calculated Property
log10WS	-2.45		Crippen Calculated Property
logPoct/wat	2.194		Crippen Calculated Property
McVol	135.910	ml/mol	McGowan Calculated Property
Pc	3166.83	kPa	Joback Calculated Property
Inp	[1087.00; 1151.00]
Inp	1135.00		NIST
Inp	1137.00		NIST
Inp	1133.00		NIST
Inp	1135.00		NIST
Inp	1151.00		NIST
Inp	1121.00		NIST
Inp	1140.00		NIST
Inp	1138.00		NIST
Inp	Outlier 1088.00		NIST
Inp	1141.00		NIST
Inp	1120.00		NIST
Inp	1140.00		NIST
Inp	Outlier 1087.00		NIST
Inp	1118.00		NIST
Inp	1127.00		NIST
Inp	1140.00		NIST
Inp	1137.00		NIST
Inp	1120.00		NIST
Inp	1123.00		NIST
Inp	1110.00		NIST
Inp	1126.00		NIST
Inp	1151.00		NIST
Inp	1120.00		NIST
Inp	1133.00		NIST
I	[1522.00; 1522.00]
I	1522.00		NIST
I	1522.00		NIST
Tboil	529.27	K	Joback Calculated Property
Tc	730.21	K	Joback Calculated Property
Tfus	334.96	K	Joback Calculated Property
Vc	0.514	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[354.30; 436.70]	J/mol×K	[529.27; 730.21]
Cp,gas	354.30	J/mol×K	529.27	Joback Calculated Property
Cp,gas	370.25	J/mol×K	562.76	Joback Calculated Property
Cp,gas	385.05	J/mol×K	596.25	Joback Calculated Property
Cp,gas	398.92	J/mol×K	629.74	Joback Calculated Property
Cp,gas	412.02	J/mol×K	663.23	Joback Calculated Property
Cp,gas	424.55	J/mol×K	696.72	Joback Calculated Property
Cp,gas	436.70	J/mol×K	730.21	Joback Calculated Property

Similar Compounds

Find more compounds similar to trans-2-Pinanol.

Sources

• Crippen Method
• Crippen Method
• 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.