Chemical Properties of Isobornyl laureate

InChI

InChI=1S/C22H40O2/c1-5-6-7-8-9-10-11-12-13-14-20(23)24-19-17-18-15-16-22(19,4)21(18,2)3/h18-19H,5-17H2,1-4H3

InChI Key

SABGETNXHUZLDJ-UHFFFAOYSA-N

Formula

C22H40O2

SMILES

CCCCCCCCCCCC(=O)OC1CC2CCC1(C)C2(C)C

Molecular Weight¹

336.55

• 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	0.8063		Relay (1.0) Calculated Property
ΔfG°	-16.56	kJ/mol	Joback Calculated Property
ΔfH°gas	-676.80	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	39.24	kJ/mol	Joback Calculated Property
ΔvapH°	99.75	kJ/mol	Relay (1.0) Calculated Property
IE	9.11	eV	Relay (1.0) Calculated Property
log10WS	-6.47		Relay (1.0) Calculated Property
logPoct/wat	6.665		Crippen Calculated Property
McVol	306.560	ml/mol	McGowan Calculated Property
Pc	1129.86	kPa	Joback Calculated Property
Inp	[2297.90; 2297.90]
Inp	2297.90		NIST
Inp	2297.90		NIST
Tboil	604.37	K	Relay (1.0) Calculated Property
Tc	852.74	K	Relay (1.0) Calculated Property
Tfus	344.35	K	Relay (1.0) Calculated Property
Vc	1.134	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1001.48; 1137.95]	J/mol×K	[787.94; 981.82]
Cp,gas	1001.48	J/mol×K	787.94	Joback Calculated Property
Cp,gas	1024.61	J/mol×K	820.25	Joback Calculated Property
Cp,gas	1047.34	J/mol×K	852.57	Joback Calculated Property
Cp,gas	1069.86	J/mol×K	884.88	Joback Calculated Property
Cp,gas	1092.35	J/mol×K	917.20	Joback Calculated Property
Cp,gas	1114.98	J/mol×K	949.51	Joback Calculated Property
Cp,gas	1137.95	J/mol×K	981.82	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isobornyl laureate.

Sources

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

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