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
Cp,gas	[246.04; 296.77]	J/mol×K	[504.27; 682.14]
Cp,gas	246.04	J/mol×K	504.27	Joback Calculated Property
Cp,gas	255.38	J/mol×K	533.92	Joback Calculated Property
Cp,gas	264.36	J/mol×K	563.56	Joback Calculated Property
Cp,gas	272.99	J/mol×K	593.21	Joback Calculated Property
Cp,gas	281.27	J/mol×K	622.85	Joback Calculated Property
Cp,gas	289.19	J/mol×K	652.50	Joback Calculated Property
Cp,gas	296.77	J/mol×K	682.14	Joback Calculated Property
η	[0.0001409; 0.0398736]	Pa×s	[260.36; 504.27]
η	0.0398736	Pa×s	260.36	Joback Calculated Property
η	0.0082434	Pa×s	301.01	Joback Calculated Property
η	0.0024799	Pa×s	341.66	Joback Calculated Property
η	0.0009632	Pa×s	382.31	Joback Calculated Property
η	0.0004487	Pa×s	422.97	Joback Calculated Property
η	0.0002390	Pa×s	463.62	Joback Calculated Property
η	0.0001409	Pa×s	504.27	Joback Calculated Property
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

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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