Chemical Properties of Menthenal isomer

InChI

InChI=1S/C10H16O/c1-8-3-5-10(6-4-8)9(2)7-11/h7,9-10H,1,3-6H2,2H3

InChI Key

JNRATHVXQNNAQX-UHFFFAOYSA-N

Formula

C10H16O

SMILES

C=C1CCC(C(C)C=O)CC1

Molecular Weight¹

152.23

• 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.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	11.10	kJ/mol	Joback Calculated Property
logPoct/wat	2.568		Crippen Calculated Property
McVol	138.170	ml/mol	McGowan Calculated Property
Inp	[1098.00; 1110.00]
Inp	1098.00		NIST
Inp	1110.00		NIST
Inp	1098.00		NIST
Tboil	470.58	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[180.60; 479.72]	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			-3.98000e+01
Coefficient B			9.38820e-01
Coefficient C			-5.05000e-04
Coefficient D			8.57000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	180.60	J/mol×K	273.00	Calculated Property
Cp,gas	232.92	J/mol×K	353.78	Calculated Property
Cp,gas	279.84	J/mol×K	434.56	Calculated Property
Cp,gas	321.62	J/mol×K	515.33	Calculated Property
Cp,gas	358.54	J/mol×K	596.11	Calculated Property
Cp,gas	390.88	J/mol×K	676.89	Calculated Property
Cp,gas	418.89	J/mol×K	757.67	Calculated Property
Cp,gas	442.85	J/mol×K	838.44	Calculated Property
Cp,gas	463.04	J/mol×K	919.22	Calculated Property
Cp,gas	479.72	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0056040; 0.0003230]	Pa×s	[250.52; 492.72]	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			-1.09896e+01
Coefficient B			1.45434e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			250.52
Temperature range, max.			492.72
η	0.0056040	Pa×s	250.52	Calculated Property
η	0.0031911	Pa×s	277.43	Calculated Property
η	0.0020074	Pa×s	304.34	Calculated Property
η	0.0013615	Pa×s	331.25	Calculated Property
η	0.0009790	Pa×s	358.16	Calculated Property
η	0.0007371	Pa×s	385.08	Calculated Property
η	0.0005759	Pa×s	411.99	Calculated Property
η	0.0004639	Pa×s	438.90	Calculated Property
η	0.0003830	Pa×s	465.81	Calculated Property
η	0.0003230	Pa×s	492.72	Calculated Property

Similar Compounds

Find more compounds similar to Menthenal isomer.

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

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