Chemical Properties of Isobornyl caprate

InChI

InChI=1S/C20H36O2/c1-5-6-7-8-9-10-11-12-18(21)22-17-15-16-13-14-20(17,4)19(16,2)3/h16-17H,5-15H2,1-4H3

InChI Key

JZDLFGOESWNMDS-UHFFFAOYSA-N

Formula

C20H36O2

SMILES

CCCCCCCCCC(=O)OC1CC2CCC1(C)C2(C)C

Molecular Weight¹

308.50

• 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	0.7308		Relay (1.0) Calculated Property
ΔfG°	-33.40	kJ/mol	Joback Calculated Property
ΔfH°gas	-634.10	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	34.06	kJ/mol	Joback Calculated Property
ΔvapH°	91.11	kJ/mol	Relay (1.0) Calculated Property
IE	9.04	eV	Relay (1.0) Calculated Property
log10WS	-5.81		Relay (1.0) Calculated Property
logPoct/wat	5.885		Crippen Calculated Property
McVol	278.380	ml/mol	McGowan Calculated Property
Pc	1291.14	kPa	Joback Calculated Property
Inp	[2087.60; 2087.60]
Inp	2087.60		NIST
Inp	2087.60		NIST
Tboil	588.49	K	Relay (1.0) Calculated Property
Tc	835.09	K	Relay (1.0) Calculated Property
Tfus	342.62	K	Relay (1.0) Calculated Property
Vc	1.024	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[878.70; 1005.94]	J/mol×K	[742.18; 937.02]
Cp,gas	878.70	J/mol×K	742.18	Joback Calculated Property
Cp,gas	900.67	J/mol×K	774.65	Joback Calculated Property
Cp,gas	922.10	J/mol×K	807.13	Joback Calculated Property
Cp,gas	943.16	J/mol×K	839.60	Joback Calculated Property
Cp,gas	964.03	J/mol×K	872.07	Joback Calculated Property
Cp,gas	984.90	J/mol×K	904.55	Joback Calculated Property
Cp,gas	1005.94	J/mol×K	937.02	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isobornyl caprate.

Sources

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

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