Chemical Properties of Copaborneol

InChI

InChI=1S/C15H26O/c1-9(2)10-7-11-12-5-6-14(3,13(11)16)15(12,4)8-10/h9-13,16H,5-8H2,1-4H3/t10?,11?,12?,13?,14-,15?/m0/s1

InChI Key

NDHCVQHHEVZVRX-BPHCLYMKSA-N

Formula

C15H26O

SMILES

CC(C)C1CC2C(O)C3(C)CCC2C3(C)C1

Molecular Weight¹

222.37

• 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	0.4900		Relay (... Calculated Property
ΔfG°	72.20	kJ/mol	Joback Calculated Property
ΔfH°gas	-314.50	kJ/mol	Relay (... Calculated Property
ΔfusH°	18.09	kJ/mol	Joback Calculated Property
ΔvapH°	89.45	kJ/mol	Relay (... Calculated Property
IE	8.88	eV	Relay (... Calculated Property
log10WS	-4.57		Relay (... Calculated Property
logPoct/wat	3.466		Crippen Calculated Property
McVol	195.500	ml/mol	McGowan Calculated Property
Pc	2159.31	kPa	Joback Calculated Property
Inp	[1592.00; 1593.00]
Inp	1592.00		NIST
Inp	1592.00		NIST
Inp	1593.00		NIST
I	[2147.00; 2203.00]
I	2159.00		NIST
I	2147.00		NIST
I	2203.00		NIST
I	2199.00		NIST
Tboil	546.84	K	Relay (... Calculated Property
Tc	802.04	K	Relay (... Calculated Property
Tfus	429.38	K	Relay (... Calculated Property
Vc	0.709	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[596.91; 705.32]	J/mol×K	[645.30; 849.11]
Cp,gas	596.91	J/mol×K	645.30	Joback Calculated Property
Cp,gas	616.48	J/mol×K	679.27	Joback Calculated Property
Cp,gas	635.16	J/mol×K	713.24	Joback Calculated Property
Cp,gas	653.15	J/mol×K	747.21	Joback Calculated Property
Cp,gas	670.70	J/mol×K	781.17	Joback Calculated Property
Cp,gas	688.01	J/mol×K	815.14	Joback Calculated Property
Cp,gas	705.32	J/mol×K	849.11	Joback Calculated Property

Similar Compounds

Find more compounds similar to Copaborneol.

Sources

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

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