Chemical Properties of Tricyclo[2.2.1.0(2,6)]heptane-3-methanol, 2,3-dimethyl- (CAS 29550-55-8)

InChI

InChI=1S/C10H16O/c1-9(5-11)6-3-7-8(4-6)10(7,9)2/h6-8,11H,3-5H2,1-2H3

InChI Key

ZWUWJJHLJNLVDD-UHFFFAOYSA-N

Formula

C10H16O

SMILES

CC1(CO)C2CC3C(C2)C31C

Molecular Weight¹

152.23

CAS

29550-55-8

Other Names

• Teresantalol
• Tricyclo[2.2.1.0(2,6)]heptane-3-methanol, 2,3-dimethyl-, stereoisomer

• 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	0.5066		Relay (1.0) Calculated Property
ΔfG°	76.55	kJ/mol	Joback Calculated Property
ΔfH°gas	-106.05	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	13.89	kJ/mol	Joback Calculated Property
ΔvapH°	75.90	kJ/mol	Relay (1.0) Calculated Property
IE	8.70	eV	Relay (1.0) Calculated Property
log10WS	-2.90		Relay (1.0) Calculated Property
logPoct/wat	1.661		Crippen Calculated Property
McVol	125.050	ml/mol	McGowan Calculated Property
Pc	3372.36	kPa	Joback Calculated Property
Inp	[1286.00; 1286.00]
Inp	1286.00		NIST
Inp	1286.00		NIST
Tboil	484.41	K	Relay (1.0) Calculated Property
Tc	765.62	K	Relay (1.0) Calculated Property
Tfus	451.95	K	Relay (1.0) Calculated Property
Vc	0.436	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[339.09; 411.01]	J/mol×K	[523.20; 717.68]
Cp,gas	339.09	J/mol×K	523.20	Joback Calculated Property
Cp,gas	353.37	J/mol×K	555.61	Joback Calculated Property
Cp,gas	366.45	J/mol×K	588.03	Joback Calculated Property
Cp,gas	378.55	J/mol×K	620.44	Joback Calculated Property
Cp,gas	389.87	J/mol×K	652.86	Joback Calculated Property
Cp,gas	400.62	J/mol×K	685.27	Joback Calculated Property
Cp,gas	411.01	J/mol×K	717.68	Joback Calculated Property

Similar Compounds

Find more compounds similar to Tricyclo[2.2.1.0(2,6)]heptane-3-methanol, 2,3-dimethyl-.

Sources

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

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