Chemical Properties of Tricyclo[4.4.0.0(2,7)]dec-3-ene-3-methanol, 1-methyl-8-(1-methylethyl)- (CAS 115728-41-1)

InChI

InChI=1S/C15H24O/c1-9(2)11-6-7-15(3)12-5-4-10(8-16)14(15)13(11)12/h4,9,11-14,16H,5-8H2,1-3H3

InChI Key

JIXPRNKLOIEGFI-UHFFFAOYSA-N

Formula

C15H24O

SMILES

CC(C)C1CCC2(C)C3CC=C(CO)C2C13

Molecular Weight¹

220.35

CAS

115728-41-1

Other Names

• Copaen-15-ol
• 15-Copaenol

• 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.
• 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
ω	0.5492		Relay (1.0) Calculated Property
ΔfG°	105.73	kJ/mol	Joback Calculated Property
ΔfH°gas	-211.00	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	24.15	kJ/mol	Joback Calculated Property
ΔvapH°	92.10	kJ/mol	Relay (1.0) Calculated Property
IE	8.42	eV	Relay (1.0) Calculated Property
log10WS	-4.42		Relay (1.0) Calculated Property
logPoct/wat	3.243		Crippen Calculated Property
McVol	191.200	ml/mol	McGowan Calculated Property
Pc	2177.49	kPa	Joback Calculated Property
Inp	1574.20		NIST
I	[2578.00; 2578.00]
I	2578.00		NIST
I	2578.00		NIST
I	2578.00		NIST
Tboil	555.37	K	Relay (1.0) Calculated Property
Tc	830.17	K	Relay (1.0) Calculated Property
Tfus	347.70	K	Relay (1.0) Calculated Property
Vc	0.653	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[575.92; 673.73]	J/mol×K	[653.87; 853.56]
Cp,gas	575.92	J/mol×K	653.87	Joback Calculated Property
Cp,gas	594.00	J/mol×K	687.15	Joback Calculated Property
Cp,gas	611.17	J/mol×K	720.43	Joback Calculated Property
Cp,gas	627.59	J/mol×K	753.72	Joback Calculated Property
Cp,gas	643.38	J/mol×K	787.00	Joback Calculated Property
Cp,gas	658.71	J/mol×K	820.28	Joback Calculated Property
Cp,gas	673.73	J/mol×K	853.56	Joback Calculated Property

Similar Compounds

Find more compounds similar to Tricyclo[4.4.0.0(2,7)]dec-3-ene-3-methanol, 1-methyl-8-(1-methylethyl)-.

Sources

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

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