Chemical Properties of Methyl cyclocopacamphanoate

InChI

InChI=1S/C16H24O2/c1-8(14(17)18-4)10-6-5-9-11-7-12-13(9)16(12,3)15(10,11)2/h8-13H,5-7H2,1-4H3/t8?,9?,10-,11-,12?,13?,15?,16+/m0/s1

InChI Key

VAUWHFXQUIWJJY-TZWADDNZSA-N

Formula

C16H24O2

SMILES

COC(=O)C(C)C1CCC2C3CC4C2C4(C)C13C

Molecular Weight¹

248.36

• 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.
• 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°	80.57	kJ/mol	Joback Calculated Property
ΔfH°gas	-350.67	kJ/mol	Joback Calculated Property
ΔfusH°	23.82	kJ/mol	Joback Calculated Property
ΔvapH°	56.06	kJ/mol	Joback Calculated Property
log10WS	-3.03		Crippen Calculated Property
logPoct/wat	3.114		Crippen Calculated Property
McVol	200.300	ml/mol	McGowan Calculated Property
Pc	1994.77	kPa	Joback Calculated Property
Inp	[1614.00; 1614.00]
Inp	1614.00		NIST
Inp	1614.00		NIST
Tboil	646.22	K	Joback Calculated Property
Tc	859.88	K	Joback Calculated Property
Tfus	441.12	K	Joback Calculated Property
Vc	0.786	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[614.24; 724.51]	J/mol×K	[646.22; 859.88]
Cp,gas	614.24	J/mol×K	646.22	Joback Calculated Property
Cp,gas	634.03	J/mol×K	681.83	Joback Calculated Property
Cp,gas	652.86	J/mol×K	717.44	Joback Calculated Property
Cp,gas	671.03	J/mol×K	753.05	Joback Calculated Property
Cp,gas	688.84	J/mol×K	788.66	Joback Calculated Property
Cp,gas	706.56	J/mol×K	824.27	Joback Calculated Property
Cp,gas	724.51	J/mol×K	859.88	Joback Calculated Property

Similar Compounds

Find more compounds similar to Methyl cyclocopacamphanoate.

Sources

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

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