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

InChI

InChI=1S/C28H54O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-30-28(29)31-27-23-26(24(2)3)21-20-25(27)4/h24-27H,5-23H2,1-4H3

InChI Key

GGPUVTCNPODVDU-UHFFFAOYSA-N

Formula

C28H54O3

SMILES

CCCCCCCCCCCCCCCCCOC(=O)OC1CC(C(C)C)CCC1C

Molecular Weight¹

438.74

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	64.29	kJ/mol	Joback Calculated Property
log10WS	-8.75		Relay (1.0) Calculated Property
logPoct/wat	9.472		Crippen Calculated Property
McVol	407.830	ml/mol	McGowan Calculated Property
Inp	[3033.00; 3033.00]
Inp	3033.00		NIST
Inp	3033.00		NIST
Tboil	668.89	K	Relay (1.0) Calculated Property
Tfus	275.77	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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 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	[597.31; 1489.42]	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			-2.70640e+01
Coefficient B			2.62088e+00
Coefficient C			-1.26720e-03
Coefficient D			1.62800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	597.31	J/mol×K	273.00	Calculated Property
Cp,gas	748.75	J/mol×K	353.78	Calculated Property
Cp,gas	885.92	J/mol×K	434.56	Calculated Property
Cp,gas	1009.31	J/mol×K	515.33	Calculated Property
Cp,gas	1119.46	J/mol×K	596.11	Calculated Property
Cp,gas	1216.87	J/mol×K	676.89	Calculated Property
Cp,gas	1302.05	J/mol×K	757.67	Calculated Property
Cp,gas	1375.53	J/mol×K	838.44	Calculated Property
Cp,gas	1437.81	J/mol×K	919.22	Calculated Property
Cp,gas	1489.42	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008280; 0.0000424]	Pa×s	[453.78; 798.14]	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			-1.39841e+01
Coefficient B			3.12544e+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.			453.78
Temperature range, max.			798.14
η	0.0008280	Pa×s	453.78	Calculated Property
η	0.0004846	Pa×s	492.04	Calculated Property
η	0.0003065	Pa×s	530.30	Calculated Property
η	0.0002061	Pa×s	568.57	Calculated Property
η	0.0001457	Pa×s	606.83	Calculated Property
η	0.0001074	Pa×s	645.09	Calculated Property
η	0.0000819	Pa×s	683.35	Calculated Property
η	0.0000642	Pa×s	721.61	Calculated Property
η	0.0000517	Pa×s	759.87	Calculated Property
η	0.0000424	Pa×s	798.14	Calculated Property

Similar Compounds

Find more compounds similar to Carbonic acid, (1R)-(-)-menthyl heptadecyl 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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