Chemical Properties of Myrtenyl laureate

InChI

InChI=1S/C22H38O2/c1-4-5-6-7-8-9-10-11-12-13-21(23)24-17-18-14-15-19-16-20(18)22(19,2)3/h14,19-20H,4-13,15-17H2,1-3H3

InChI Key

QOZRLWRYYCNZEX-UHFFFAOYSA-N

Formula

C22H38O2

SMILES

CCCCCCCCCCCC(=O)OCC1=CCC2CC1C2(C)C

Molecular Weight¹

334.54

• 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	0.8045		Relay (1.0) Calculated Property
ΔfG°	16.97	kJ/mol	Joback Calculated Property
ΔfH°gas	-602.48	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	45.30	kJ/mol	Joback Calculated Property
ΔvapH°	97.96	kJ/mol	Relay (1.0) Calculated Property
IE	8.75	eV	Relay (1.0) Calculated Property
log10WS	-6.63		Relay (1.0) Calculated Property
logPoct/wat	6.443		Crippen Calculated Property
McVol	302.260	ml/mol	McGowan Calculated Property
Pc	1136.73	kPa	Joback Calculated Property
Inp	[2335.60; 2335.60]
Inp	2335.60		NIST
Inp	2335.60		NIST
Tboil	613.49	K	Relay (1.0) Calculated Property
Tc	865.01	K	Relay (1.0) Calculated Property
Tfus	304.13	K	Relay (1.0) Calculated Property
Vc	1.098	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[976.94; 1096.18]	J/mol×K	[796.51; 988.86]
Cp,gas	976.94	J/mol×K	796.51	Joback Calculated Property
Cp,gas	998.12	J/mol×K	828.57	Joback Calculated Property
Cp,gas	1018.62	J/mol×K	860.63	Joback Calculated Property
Cp,gas	1038.56	J/mol×K	892.68	Joback Calculated Property
Cp,gas	1058.05	J/mol×K	924.74	Joback Calculated Property
Cp,gas	1077.22	J/mol×K	956.80	Joback Calculated Property
Cp,gas	1096.18	J/mol×K	988.86	Joback Calculated Property

Similar Compounds

Find more compounds similar to Myrtenyl laureate.

Sources

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

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