- 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.
- Tig : Autoignition Temperature (K).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- Tflash,cc : Flash Point (Closed Cup Method) (K).
- 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).
- NFPA Fire : NFPA Fire Rating.
- NFPA Health : NFPA Health Rating.
- NFPA Safety : NFPA Safety Rating.
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- n0 : Refractive Index.
- ρl : Liquid Density (kg/m3).
- Inp : Non-polar retention indices.
- Ip : Polar retention indices.
- γ : Surface Tension (N/m).
- 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 | |
| Tig | 573.15 | K | NCMS SOLV-DB |
| Tflash,cc | 344.15 | K | NCMS SOLV-DB |
| ΔfH°gas | -689.03 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 0.93 | kJ/mol | NCMS SOLV-DB |
| IE | 10.21 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.06 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.366 | NCMS SOLV-DB | |
| McVol | 122.800 | ml/mol | McGowan Calculated Property |
| NFPA Fire | 2 | NCMS SOLV-DB | |
| NFPA Health | 1 | NCMS SOLV-DB | |
| NFPA Safety | 0 | NCMS SOLV-DB | |
| Pc | 3138.51 | kPa | Joback Calculated Property |
| Inp | [997.00; 997.00] |
|
|
| Inp | 997.00 | NIST | |
| Inp | 997.00 | NIST | |
| Ip | [1508.00; 1520.00] |
|
|
| Ip | 1520.00 | NIST | |
| Ip | 1508.00 | NIST | |
| Tboil | [459.20; 460.92] | K |
|
| Tboil | 460.92 | K | NCMS SOLV-DB |
| Tboil | 459.20 | K | NIST |
| Tc | 638.28 | K | Relay (1.0) Calculated Property |
| Tfus | [245.00; 245.15] | K |
|
| Tfus | 245.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 245.15 | K | NCMS SOLV-DB |
| 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 | ||
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [182.50; 407.78] | 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 | 2.55430e+01 | |||
| Coefficient B | 6.53940e-01 | |||
| Coefficient C | -2.96000e-04 | |||
| Coefficient D | 2.43000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 182.50 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 220.92 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 255.81 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 287.26 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 315.33 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 340.10 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 361.66 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 380.07 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 395.42 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 407.78 | J/mol×K | 1000.00 | Calculated Property |
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
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- 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
- NCMS SOLV-DB
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