Chemical Properties of cis-Piperitol, acetate (CAS 112028-22-5)

InChI

InChI=1S/C12H20O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h7-8,11-12H,5-6H2,1-4H3/t11-,12-/m1/s1

InChI Key

NADGBBLSBLDJEH-VXGBXAGGSA-N

Formula

C12H20O2

SMILES

CC(=O)OC1C=C(C)CCC1C(C)C

Molecular Weight¹

196.29

CAS

112028-22-5

Other Names

• cis-piperityl acetate

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	21.42	kJ/mol	Joback Calculated Property
logPoct/wat	2.930		Crippen Calculated Property
McVol	172.220	ml/mol	McGowan Calculated Property
Inp	[1303.00; 1335.00]
Inp	1303.00		NIST
Inp	1330.00		NIST
Inp	1332.00		NIST
Inp	1335.00		NIST
Inp	1332.00		NIST
Inp	1332.00		NIST
Inp	1303.00		NIST
Inp	1332.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization 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	[236.29; 604.46]	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			-2.18800e+01
Coefficient B			1.07508e+00
Coefficient C			-4.83440e-04
Coefficient D			3.47000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	236.29	J/mol×K	273.00	Calculated Property
Cp,gas	299.49	J/mol×K	353.78	Calculated Property
Cp,gas	356.86	J/mol×K	434.56	Calculated Property
Cp,gas	408.51	J/mol×K	515.33	Calculated Property
Cp,gas	454.55	J/mol×K	596.11	Calculated Property
Cp,gas	495.09	J/mol×K	676.89	Calculated Property
Cp,gas	530.24	J/mol×K	757.67	Calculated Property
Cp,gas	560.11	J/mol×K	838.44	Calculated Property
Cp,gas	584.82	J/mol×K	919.22	Calculated Property
Cp,gas	604.46	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0040164; 0.0002165]	Pa×s	[268.75; 528.35]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.14614e+01
Coefficient B			1.59746e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			268.75
Temperature range, max.			528.35
η	0.0040164	Pa×s	268.75	Calculated Property
η	0.0022575	Pa×s	297.59	Calculated Property
η	0.0014049	Pa×s	326.44	Calculated Property
η	0.0009443	Pa×s	355.28	Calculated Property
η	0.0006737	Pa×s	384.13	Calculated Property
η	0.0005039	Pa×s	412.97	Calculated Property
η	0.0003914	Pa×s	441.82	Calculated Property
η	0.0003136	Pa×s	470.66	Calculated Property
η	0.0002578	Pa×s	499.50	Calculated Property
η	0.0002165	Pa×s	528.35	Calculated Property

Similar Compounds

Find more compounds similar to cis-Piperitol, 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.
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