- InChI
- InChI=1S/C7H14O3/c1-3-4-5-10-7(9)6(2)8/h6,8H,3-5H2,1-2H3
- InChI Key
- MRABAEUHTLLEML-UHFFFAOYSA-N
- Formula
- C7H14O3
- SMILES
- CCCCOC(=O)C(C)O
- Molecular Weight1
- 146.18
- CAS
- 138-22-7
- Other Names
-
- (S)-n-butyl lactate
- 2-Hydroxypropanoic acid butyl ester
- Butyl «alpha»-hydroxypropionate
- Butylester kyseliny mlecne
- Lactic acid n-butyl ester
- NSC 6533
- butyl (S)-2-hydroxypropanoate
- butyl 2-hydroxypropanoate
- butyl L-(+)-lactate
- butyl L-lactate
- lactic acid, butyl ester
- n-Butyl lactate
- propanoic acid, 2-hydroxy-, butyl ester
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- n0 : Refractive Index.
- ρl : Liquid Density (kg/m3).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.6712 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -689.03 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.31 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.21 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.06 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.710 | Crippen Calculated Property | |
| McVol | 122.800 | ml/mol | McGowan Calculated Property |
| Pc | 3138.51 | kPa | Joback Calculated Property |
| Inp | [997.00; 997.00] |
|
|
| Inp | 997.00 | NIST | |
| Inp | 997.00 | NIST | |
| I | [1508.00; 1520.00] |
|
|
| I | 1520.00 | NIST | |
| I | 1508.00 | NIST | |
| Tboil | 459.20 | K | NIST |
| Tc | 638.28 | K | Relay (1.0) Calculated Property |
| Tfus | 245.00 ± 2.00 | K | NIST |
| Vc | 0.474 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Temperature Dependent Properties
Datasets
Mass density, kg/m3
| Fixed | Measured | |
|---|---|---|
| Temperature, K - Liquid | Pressure, kPa - Liquid | Mass density, kg/m3 - Liquid |
| 283.15 | 100.00 | 992.75 |
| 288.15 | 100.00 | 987.86 |
| 293.15 | 100.00 | 982.96 |
| 298.15 | 100.00 | 977.96 |
| 303.15 | 100.00 | 973.09 |
| 308.15 | 100.00 | 967.74 |
| 313.15 | 100.00 | 963.05 |
| 318.15 | 100.00 | 957.98 |
| 323.15 | 100.00 | 952.44 |
| 328.15 | 100.00 | 947.31 |
| 333.15 | 100.00 | 942.28 |
| 338.15 | 100.00 | 937.09 |
| 283.15 | 2500.00 | 994.4 |
| 288.15 | 2500.00 | 989.52 |
| 293.15 | 2500.00 | 984.69 |
| 298.15 | 2500.00 | 979.83 |
| 303.15 | 2500.00 | 974.98 |
| 308.15 | 2500.00 | 970.01 |
| 313.15 | 2500.00 | 965.11 |
| 318.15 | 2500.00 | 960.06 |
| 323.15 | 2500.00 | 954.61 |
| 328.15 | 2500.00 | 949.44 |
| 333.15 | 2500.00 | 944.52 |
| 338.15 | 2500.00 | 939.39 |
| 283.15 | 5000.00 | 996.14 |
| 288.15 | 5000.00 | 991.32 |
| 293.15 | 5000.00 | 986.5 |
| 298.15 | 5000.00 | 981.74 |
| 303.15 | 5000.00 | 976.81 |
| 308.15 | 5000.00 | 971.95 |
| 313.15 | 5000.00 | 967.03 |
| 318.15 | 5000.00 | 962.11 |
| 323.15 | 5000.00 | 956.73 |
| 328.15 | 5000.00 | 951.63 |
| 333.15 | 5000.00 | 946.72 |
| 338.15 | 5000.00 | 941.78 |
| 283.15 | 7500.00 | 997.77 |
| 288.15 | 7500.00 | 993.09 |
| 293.15 | 7500.00 | 988.29 |
| 298.15 | 7500.00 | 983.49 |
| 303.15 | 7500.00 | 978.72 |
| 308.15 | 7500.00 | 973.85 |
| 313.15 | 7500.00 | 969.06 |
| 318.15 | 7500.00 | 964.16 |
| 323.15 | 7500.00 | 958.74 |
| 328.15 | 7500.00 | 953.79 |
| 333.15 | 7500.00 | 948.91 |
| 338.15 | 7500.00 | 943.99 |
| 283.15 | 10000.00 | 999.41 |
| 288.15 | 10000.00 | 994.7 |
| 293.15 | 10000.00 | 990.02 |
| 298.15 | 10000.00 | 985.26 |
| 303.15 | 10000.00 | 980.54 |
| 308.15 | 10000.00 | 975.59 |
| 313.15 | 10000.00 | 970.96 |
| 318.15 | 10000.00 | 966.04 |
| 323.15 | 10000.00 | 960.79 |
| 328.15 | 10000.00 | 955.86 |
| 333.15 | 10000.00 | 951.02 |
| 338.15 | 10000.00 | 946.05 |
| 283.15 | 20000.00 | 1005.87 |
| 288.15 | 20000.00 | 1001.18 |
| 293.15 | 20000.00 | 996.69 |
| 298.15 | 20000.00 | 992.04 |
| 303.15 | 20000.00 | 987.67 |
| 308.15 | 20000.00 | 982.84 |
| 313.15 | 20000.00 | 978.27 |
| 318.15 | 20000.00 | 973.62 |
| 323.15 | 20000.00 | 968.64 |
| 328.15 | 20000.00 | 963.73 |
| 333.15 | 20000.00 | 959.28 |
| 338.15 | 20000.00 | 954.42 |
| 283.15 | 30000.00 | 1011.69 |
| 288.15 | 30000.00 | 1007.12 |
| 293.15 | 30000.00 | 1002.96 |
| 298.15 | 30000.00 | 998.37 |
| 303.15 | 30000.00 | 993.96 |
| 308.15 | 30000.00 | 989.43 |
| 313.15 | 30000.00 | 985.03 |
| 318.15 | 30000.00 | 980.42 |
| 323.15 | 30000.00 | 975.86 |
| 328.15 | 30000.00 | 971.08 |
| 333.15 | 30000.00 | 966.7 |
| 338.15 | 30000.00 | 962.07 |
| 283.15 | 40000.00 | 1017.42 |
| 288.15 | 40000.00 | 1012.83 |
| 293.15 | 40000.00 | 1008.73 |
| 298.15 | 40000.00 | 1004.29 |
| 303.15 | 40000.00 | 1000.06 |
| 308.15 | 40000.00 | 995.62 |
| 313.15 | 40000.00 | 991.43 |
| 318.15 | 40000.00 | 986.96 |
| 323.15 | 40000.00 | 982.37 |
| 328.15 | 40000.00 | 977.8 |
| 333.15 | 40000.00 | 973.8 |
| 338.15 | 40000.00 | 969.19 |
| 283.15 | 50000.00 | 1022.85 |
| 288.15 | 50000.00 | 1018.14 |
| 293.15 | 50000.00 | 1014.33 |
| 298.15 | 50000.00 | 1009.82 |
| 303.15 | 50000.00 | 1005.69 |
| 308.15 | 50000.00 | 1001.41 |
| 313.15 | 50000.00 | 997.35 |
| 318.15 | 50000.00 | 993.12 |
| 323.15 | 50000.00 | 988.47 |
| 328.15 | 50000.00 | 984.21 |
| 333.15 | 50000.00 | 980.2 |
| 338.15 | 50000.00 | 975.64 |
| 283.15 | 60000.00 | 1027.71 |
| 288.15 | 60000.00 | 1023.26 |
| 293.15 | 60000.00 | 1019.37 |
| 298.15 | 60000.00 | 1015.17 |
| 303.15 | 60000.00 | 1011.27 |
| 308.15 | 60000.00 | 1007.05 |
| 313.15 | 60000.00 | 1002.99 |
| 318.15 | 60000.00 | 998.83 |
| 323.15 | 60000.00 | 994.3 |
| 328.15 | 60000.00 | 990.17 |
| 333.15 | 60000.00 | 986.43 |
| 338.15 | 60000.00 | 982.05 |
| Reference | ||
Similar Compounds
Find more compounds similar to Butyl lactate.
Mixtures
- Carbon dioxide + Butyl lactate
- 1-Propanol + Butyl lactate
- Propylene Glycol + Butyl lactate
- 1,3-Propanediol + Butyl lactate
- Butyl lactate + Sulfur dioxide
- 1-Butanol + Butyl lactate
- Butyl lactate + Water
- 1-Butanol + Butyl lactate + Water
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
- High-pressure phase behavior of propyl lactate and butyl lactate in supercritical carbon dioxide
- The pqT behaviour of the lactate family
- Self-aggregation of liquids from biomass in aqueous solution
- Feasibility of bio-based lactate esters as extractant for biobutanol recovery: (Liquid + liquid) equilibria
- Investigation of SO2 solubilities in some biobased solvents and their thermodynamic properties
- Renewable platform chemicals: Evaluation of thermochemical data of alkyl lactates with complementary experimental and computational methods
- Experimental measurements and modelling of volumetric properties, refractive index and viscosity of selected binary systems with butyl lactate at 288.15 to 323.15 K and atmospheric pressure. New UNIFAC-VISCO interaction parameters.
- Thermophysical Properties of Lactates
- Investigation of the Solubilities of Carbon Dioxide in Some Low Volatile Solvents and Their Thermodynamic Properties
- Joback Method
- McGowan Method
- NIST Webbook
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