Chemical Properties of (S)-Isopropyl lactate (CAS 63697-00-7)

InChI

InChI=1S/C6H12O3/c1-4(2)9-6(8)5(3)7/h4-5,7H,1-3H3/t5-/m1/s1

InChI Key

KIWATKANDHUUOB-RXMQYKEDSA-N

Formula

C6H12O3

SMILES

CC(C)OC(=O)C(C)O

Molecular Weight¹

132.16

CAS

63697-00-7

Other Names

• isopropyl (S)-(-)-lactate
• isopropyl (S)-2-hydroxypropionate
• isopropyl (S)-lactate
• isopropyl S-(-)-lactate
• propanoic acid, 2-hydroxy-, 1-methylethyl ester, (S)-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• n₀ : Refractive Index.
• 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 Volume, Standard Gibbs free energy of formation, Acentric Factor 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.09; 0.41]	kPa	[283.40; 306.80]
Pvap	0.09	kPa	283.40	Renewable platform chemicals: Evaluation of thermochemical data of alkyl lactates with complementary experimental and computational methods
Pvap	0.12	kPa	288.30	Renewable platform chemicals: Evaluation of thermochemical data of alkyl lactates with complementary experimental and computational methods
Pvap	0.18	kPa	293.30	Renewable platform chemicals: Evaluation of thermochemical data of alkyl lactates with complementary experimental and computational methods
Pvap	0.24	kPa	298.30	Renewable platform chemicals: Evaluation of thermochemical data of alkyl lactates with complementary experimental and computational methods
Pvap	0.32	kPa	303.20	Renewable platform chemicals: Evaluation of thermochemical data of alkyl lactates with complementary experimental and computational methods
Pvap	0.41	kPa	306.80	Renewable platform chemicals: Evaluation of thermochemical data of alkyl lactates with complementary experimental and computational methods
n0	1.41050		293.15	Vapor liquid equilibria and excess volumes of the binary systems ethanol + ethyl lactate, isopropanol + isopropyl lactate and n-butanol + n-butyl lactate at 101.325 kPa

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[160.97; 356.73]	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			2.47700e+01
Coefficient B			5.64860e-01
Coefficient C			-2.44800e-04
Coefficient D			1.19000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	160.97	J/mol×K	273.00	Calculated Property
Cp,gas	194.49	J/mol×K	353.78	Calculated Property
Cp,gas	224.98	J/mol×K	434.56	Calculated Property
Cp,gas	252.48	J/mol×K	515.33	Calculated Property
Cp,gas	277.02	J/mol×K	596.11	Calculated Property
Cp,gas	298.65	J/mol×K	676.89	Calculated Property
Cp,gas	317.39	J/mol×K	757.67	Calculated Property
Cp,gas	333.30	J/mol×K	838.44	Calculated Property
Cp,gas	346.40	J/mol×K	919.22	Calculated Property
Cp,gas	356.73	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.1574393; 0.0002008]	Pa×s	[230.53; 462.94]	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			-1.51240e+01
Coefficient B			3.06035e+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.			230.53
Temperature range, max.			462.94
η	0.1574393	Pa×s	230.53	Calculated Property
η	0.0413369	Pa×s	256.35	Calculated Property
η	0.0138632	Pa×s	282.18	Calculated Property
η	0.0055841	Pa×s	308.00	Calculated Property
η	0.0025890	Pa×s	333.83	Calculated Property
η	0.0013405	Pa×s	359.65	Calculated Property
η	0.0007580	Pa×s	385.47	Calculated Property
η	0.0004605	Pa×s	411.30	Calculated Property
η	0.0002967	Pa×s	437.12	Calculated Property
η	0.0002008	Pa×s	462.94	Calculated Property

Similar Compounds

Find more compounds similar to (S)-Isopropyl lactate.

Mixtures

• 2-Propanol + (S)-Isopropyl lactate

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Vapor liquid equilibria and excess volumes of the binary systems ethanol + ethyl lactate, isopropanol + isopropyl lactate and n-butanol + n-butyl lactate at 101.325 kPa
• Renewable platform chemicals: Evaluation of thermochemical data of alkyl lactates with complementary experimental and computational methods
• Joback Method
• McGowan Method
• NIST Webbook

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