Chemical Properties of «beta»-Cyclolavandulyl acetate

InChI

InChI=1S/C12H20O2/c1-9-7-12(3,4)6-5-11(9)8-14-10(2)13/h5-8H2,1-4H3

InChI Key

PJBZKRBNXOKTOE-UHFFFAOYSA-N

Formula

C12H20O2

SMILES

CC(=O)OCC1=C(C)CC(C)(C)CC1

Molecular Weight¹

196.29

• 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°	-154.10	kJ/mol	Joback Calculated Property
ΔfH°gas	-431.41	kJ/mol	Joback Calculated Property
ΔfusH°	15.60	kJ/mol	Joback Calculated Property
ΔvapH°	52.36	kJ/mol	Joback Calculated Property
log10WS	-3.21		Crippen Calculated Property
logPoct/wat	3.076		Crippen Calculated Property
McVol	172.220	ml/mol	McGowan Calculated Property
Pc	2338.29	kPa	Joback Calculated Property
Inp	[1303.00; 1303.00]
Inp	1303.00		NIST
Inp	1303.00		NIST
I	1655.00		NIST
Tboil	579.16	K	Joback Calculated Property
Tc	790.19	K	Joback Calculated Property
Tfus	354.24	K	Joback Calculated Property
Vc	0.648	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[433.72; 525.76]	J/mol×K	[579.16; 790.19]
Cp,gas	433.72	J/mol×K	579.16	Joback Calculated Property
Cp,gas	450.99	J/mol×K	614.33	Joback Calculated Property
Cp,gas	467.37	J/mol×K	649.50	Joback Calculated Property
Cp,gas	482.95	J/mol×K	684.67	Joback Calculated Property
Cp,gas	497.82	J/mol×K	719.85	Joback Calculated Property
Cp,gas	512.06	J/mol×K	755.02	Joback Calculated Property
Cp,gas	525.76	J/mol×K	790.19	Joback Calculated Property

Similar Compounds

Find more compounds similar to «beta»-Cyclolavandulyl acetate.

Sources

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

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