Chemical Properties of D-Neomenthyl-L-lactate

InChI

InChI=1S/C13H24O3/c1-8(2)11-6-5-9(3)7-12(11)16-13(15)10(4)14/h8-12,14H,5-7H2,1-4H3/t9-,10?,11+,12+/m0/s1

InChI Key

UJNOLBSYLSYIBM-VIVKNYSDSA-N

Formula

C13H24O3

SMILES

CC(O)C(=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C

Molecular Weight¹

228.33

• 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).
• 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_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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	[275.88; 716.26]	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			-3.53200e+01
Coefficient B			1.29898e+00
Coefficient C			-5.95800e-04
Coefficient D			4.84000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	275.88	J/mol×K	273.00	Calculated Property
Cp,gas	351.80	J/mol×K	353.78	Calculated Property
Cp,gas	420.62	J/mol×K	434.56	Calculated Property
Cp,gas	482.49	J/mol×K	515.33	Calculated Property
Cp,gas	537.55	J/mol×K	596.11	Calculated Property
Cp,gas	585.97	J/mol×K	676.89	Calculated Property
Cp,gas	627.90	J/mol×K	757.67	Calculated Property
Cp,gas	663.49	J/mol×K	838.44	Calculated Property
Cp,gas	692.89	J/mol×K	919.22	Calculated Property
Cp,gas	716.26	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0169551; 0.0000921]	Pa×s	[308.32; 593.22]	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			-1.49372e+01
Coefficient B			3.34836e+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.			308.32
Temperature range, max.			593.22
η	0.0169551	Pa×s	308.32	Calculated Property
η	0.0061680	Pa×s	339.98	Calculated Property
η	0.0026656	Pa×s	371.63	Calculated Property
η	0.0013142	Pa×s	403.29	Calculated Property
η	0.0007182	Pa×s	434.94	Calculated Property
η	0.0004260	Pa×s	466.60	Calculated Property
η	0.0002700	Pa×s	498.25	Calculated Property
η	0.0001807	Pa×s	529.91	Calculated Property
η	0.0001266	Pa×s	561.57	Calculated Property
η	0.0000921	Pa×s	593.22	Calculated Property

Similar Compounds

Find more compounds similar to D-Neomenthyl-L-lactate.

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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