Chemical Properties of Carbonic acid, (1R)-(-)-menthyl isohexyl ester

InChI

InChI=1S/C17H32O3/c1-12(2)7-6-10-19-17(18)20-16-11-15(13(3)4)9-8-14(16)5/h12-16H,6-11H2,1-5H3

InChI Key

VQUNTWBBGNDWKJ-UHFFFAOYSA-N

Formula

C17H32O3

SMILES

CC(C)CCCOC(=O)OC1CC(C(C)C)CCC1C

Molecular Weight¹

284.44

• 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°	32.27	kJ/mol	Joback Calculated Property
logPoct/wat	5.037		Crippen Calculated Property
McVol	252.840	ml/mol	McGowan Calculated Property
Inp	[1816.00; 1816.00]
Inp	1816.00		NIST
Inp	1816.00		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	[363.64; 922.45]	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			-1.87470e+01
Coefficient B			1.58180e+00
Coefficient C			-6.72000e-04
Coefficient D			3.14000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	363.64	J/mol×K	273.00	Calculated Property
Cp,gas	458.14	J/mol×K	353.78	Calculated Property
Cp,gas	544.31	J/mol×K	434.56	Calculated Property
Cp,gas	622.24	J/mol×K	515.33	Calculated Property
Cp,gas	692.04	J/mol×K	596.11	Calculated Property
Cp,gas	753.80	J/mol×K	676.89	Calculated Property
Cp,gas	807.62	J/mol×K	757.67	Calculated Property
Cp,gas	853.60	J/mol×K	838.44	Calculated Property
Cp,gas	891.85	J/mol×K	919.22	Calculated Property
Cp,gas	922.45	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0036815; 0.0001409]	Pa×s	[314.81; 608.68]	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			-1.23625e+01
Coefficient B			2.12750e+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.			314.81
Temperature range, max.			608.68
η	0.0036815	Pa×s	314.81	Calculated Property
η	0.0019508	Pa×s	347.46	Calculated Property
η	0.0011529	Pa×s	380.12	Calculated Property
η	0.0007405	Pa×s	412.77	Calculated Property
η	0.0005075	Pa×s	445.42	Calculated Property
η	0.0003662	Pa×s	478.07	Calculated Property
η	0.0002755	Pa×s	510.73	Calculated Property
η	0.0002145	Pa×s	543.38	Calculated Property
η	0.0001718	Pa×s	576.03	Calculated Property
η	0.0001409	Pa×s	608.68	Calculated Property

Similar Compounds

Find more compounds similar to Carbonic acid, (1R)-(-)-menthyl isohexyl ester.

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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