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	[242.97; 294.71]	J/mol×K	[486.40; 661.35]
Cp,gas	242.97	J/mol×K	486.40	Joback Calculated Property
Cp,gas	252.55	J/mol×K	515.56	Joback Calculated Property
Cp,gas	261.75	J/mol×K	544.72	Joback Calculated Property
Cp,gas	270.56	J/mol×K	573.87	Joback Calculated Property
Cp,gas	278.99	J/mol×K	603.03	Joback Calculated Property
Cp,gas	287.04	J/mol×K	632.19	Joback Calculated Property
Cp,gas	294.71	J/mol×K	661.35	Joback Calculated Property
η	[0.0001460; 0.1574393]	Pa×s	[230.53; 486.40]
η	0.1574393	Pa×s	230.53	Joback Calculated Property
η	0.0198192	Pa×s	273.18	Joback Calculated Property
η	0.0043664	Pa×s	315.82	Joback Calculated Property
η	0.0013787	Pa×s	358.46	Joback Calculated Property
η	0.0005563	Pa×s	401.11	Joback Calculated Property
η	0.0002672	Pa×s	443.75	Joback Calculated Property
η	0.0001460	Pa×s	486.40	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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.