Chemical Properties of Copaborneol

InChI

InChI=1S/C16H28O/c1-10(2)11-5-7-15(3)13-6-8-16(15,4)14(17)12(13)9-11/h10-14,17H,5-9H2,1-4H3/t11-,12?,13?,14?,15?,16+/m0/s1

InChI Key

QZNBJJCJJAQRMJ-WSQROMCKSA-N

Formula

C16H28O

SMILES

CC(C)C1CCC2(C)C3CCC2(C)C(O)C3C1

Molecular Weight¹

236.39

• 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°	68.52	kJ/mol	Joback Calculated Property
ΔfH°gas	-355.54	kJ/mol	Joback Calculated Property
ΔfusH°	18.58	kJ/mol	Joback Calculated Property
ΔvapH°	64.36	kJ/mol	Joback Calculated Property
log10WS	-4.13		Crippen Calculated Property
logPoct/wat	3.856		Crippen Calculated Property
McVol	209.590	ml/mol	McGowan Calculated Property
Pc	2023.58	kPa	Joback Calculated Property
Inp	[1592.00; 1601.00]
Inp	1592.00		NIST
Inp	1601.00		NIST
Inp	1595.00		NIST
Inp	1595.00		NIST
Inp	1592.00		NIST
I	[2142.00; 2142.00]
I	2142.00		NIST
I	2142.00		NIST
Tboil	672.45	K	Joback Calculated Property
Tc	879.43	K	Joback Calculated Property
Tfus	397.76	K	Joback Calculated Property
Vc	0.792	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[654.94; 771.60]	J/mol×K	[672.45; 879.43]
Cp,gas	654.94	J/mol×K	672.45	Joback Calculated Property
Cp,gas	675.74	J/mol×K	706.95	Joback Calculated Property
Cp,gas	695.69	J/mol×K	741.44	Joback Calculated Property
Cp,gas	715.02	J/mol×K	775.94	Joback Calculated Property
Cp,gas	733.96	J/mol×K	810.44	Joback Calculated Property
Cp,gas	752.75	J/mol×K	844.94	Joback Calculated Property
Cp,gas	771.60	J/mol×K	879.43	Joback Calculated Property

Similar Compounds

Find more compounds similar to Copaborneol.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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