Chemical Properties of Neo-iso-Isopulegol acetate

InChI

InChI=1S/C12H20O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h9,11-12H,1,5-7H2,2-4H3/t9-,11+,12-/m0/s1

InChI Key

HLHIVJRLODSUCI-WCQGTBRESA-N

Formula

C12H20O2

SMILES

C=C(C)C1CCC(C)CC1OC(C)=O

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.
• 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°	-95.44	kJ/mol	Joback Calculated Property
ΔfH°gas	-406.53	kJ/mol	Joback Calculated Property
ΔfusH°	21.01	kJ/mol	Joback Calculated Property
ΔvapH°	50.68	kJ/mol	Joback Calculated Property
log10WS	-3.08		Crippen Calculated Property
logPoct/wat	2.930		Crippen Calculated Property
McVol	172.220	ml/mol	McGowan Calculated Property
Pc	2187.68	kPa	Joback Calculated Property
Inp	[1309.00; 1321.00]
Inp	1321.00		NIST
Inp	1309.00		NIST
Tboil	557.02	K	Joback Calculated Property
Tc	763.76	K	Joback Calculated Property
Tfus	280.34	K	Joback Calculated Property
Vc	0.644	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[435.53; 539.15]	J/mol×K	[557.02; 763.76]
Cp,gas	435.53	J/mol×K	557.02	Joback Calculated Property
Cp,gas	455.28	J/mol×K	591.48	Joback Calculated Property
Cp,gas	474.03	J/mol×K	625.93	Joback Calculated Property
Cp,gas	491.78	J/mol×K	660.39	Joback Calculated Property
Cp,gas	508.54	J/mol×K	694.85	Joback Calculated Property
Cp,gas	524.33	J/mol×K	729.31	Joback Calculated Property
Cp,gas	539.15	J/mol×K	763.76	Joback Calculated Property

Similar Compounds

Find more compounds similar to Neo-iso-Isopulegol acetate.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.