Chemical Properties of p-Menth-8-en-3-ol, acetate (CAS 89-49-6)

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

InChI Key

HLHIVJRLODSUCI-UHFFFAOYSA-N

Formula

C12H20O2

SMILES

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

Molecular Weight¹

196.29

CAS

89-49-6

Other Names

• 2-Isopropenyl-5-methylcyclohexyl acetate
• Cyclohexanol, 5-methyl-2-(1-methylethenyl)-, acetate
• 1-Methyl-4-isopropenylcyclohexan-3-yl acetate
• Isopulegyl acetate

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	22.59	kJ/mol	Joback Calculated Property
ΔvapH°	69.09	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	2.930		Crippen Calculated Property
McVol	172.220	ml/mol	McGowan Calculated Property
Inp	[1226.00; 1298.00]
Inp	Outlier 1226.00		NIST
Inp	1281.00		NIST
Inp	1258.00		NIST
Inp	1263.00		NIST
Inp	1268.00		NIST
Inp	1287.00		NIST
Inp	1254.00		NIST
Inp	1267.00		NIST
Inp	1251.00		NIST
Inp	1259.00		NIST
Inp	1258.00		NIST
Inp	1260.00		NIST
Inp	1271.00		NIST
Inp	Outlier 1298.00		NIST
Inp	1259.00		NIST
Inp	1258.00		NIST
I	[1576.00; 1608.00]
I	1608.00		NIST
I	1581.00		NIST
I	1576.00		NIST
I	1585.00		NIST
I	1585.00		NIST
I	1608.00		NIST
Tboil	504.89	K	Relay (1.0) Calculated Property
Tfus	229.67	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[233.14; 616.14]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-3.90200e+01
Coefficient B			1.13806e+00
Coefficient C			-5.29800e-04
Coefficient D			4.69000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	233.14	J/mol×K	273.00	Calculated Property
Cp,gas	299.37	J/mol×K	353.78	Calculated Property
Cp,gas	359.33	J/mol×K	434.56	Calculated Property
Cp,gas	413.18	J/mol×K	515.33	Calculated Property
Cp,gas	461.06	J/mol×K	596.11	Calculated Property
Cp,gas	503.12	J/mol×K	676.89	Calculated Property
Cp,gas	539.51	J/mol×K	757.67	Calculated Property
Cp,gas	570.38	J/mol×K	838.44	Calculated Property
Cp,gas	595.87	J/mol×K	919.22	Calculated Property
Cp,gas	616.14	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to p-Menth-8-en-3-ol, acetate.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
These property values are available through the Cheméo API. A free account gives you an access key.