Chemical Properties of Butyl lactate (CAS 138-22-7)

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.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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.
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.6712		Relay (1.0) Calculated Property
ΔfG°	-365.12	kJ/mol	Joback Calculated Property
ΔfH°gas	-689.03	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.24	kJ/mol	Joback Calculated Property
ΔvapH°	59.66	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	3287.81	kPa	Joback Calculated Property
Inp	997.00		NIST
I	[1508.00; 1520.00]
I	1520.00		NIST
I	1508.00		NIST
Tboil	459.20	K	NIST
Tc	634.55	K	Relay (1.0) Calculated Property
Tfus	245.00 ± 2.00	K	NIST
Vc	0.473	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[288.76; 343.59]	J/mol×K	[527.59; 700.51]
Cp,gas	288.76	J/mol×K	527.59	Joback Calculated Property
Cp,gas	298.85	J/mol×K	556.41	Joback Calculated Property
Cp,gas	308.56	J/mol×K	585.23	Joback Calculated Property
Cp,gas	317.88	J/mol×K	614.05	Joback Calculated Property
Cp,gas	326.83	J/mol×K	642.87	Joback Calculated Property
Cp,gas	335.40	J/mol×K	671.69	Joback Calculated Property
Cp,gas	343.59	J/mol×K	700.51	Joback Calculated Property
η	[0.0001245; 0.0172601]	Pa×s	[286.63; 527.59]
η	0.0172601	Pa×s	286.63	Joback Calculated Property
η	0.0045782	Pa×s	326.79	Joback Calculated Property
η	0.0016237	Pa×s	366.95	Joback Calculated Property
η	0.0007065	Pa×s	407.11	Joback Calculated Property
η	0.0003570	Pa×s	447.27	Joback Calculated Property
η	0.0002019	Pa×s	487.43	Joback Calculated Property
η	0.0001245	Pa×s	527.59	Joback Calculated Property
ΔvapH	[49.90; 58.70]	kJ/mol	[397.50; 425.50]
ΔvapH	58.70	kJ/mol	397.50	NIST
ΔvapH	49.90	kJ/mol	425.50	NIST
Pvap	[5.76e-03; 0.35]	kPa	[273.60; 322.90]
Pvap	5.76e-03	kPa	273.60	Renewable platform chemicals: Evaluation of thermochemical data of alkyl lactates with complementary experimental and computational methods
Pvap	6.27e-03	kPa	274.10	Renewable platform chemicals: Evaluation of thermochemical data of alkyl lactates with complementary experimental and computational methods
Pvap	8.23e-03	kPa	276.60	Renewable platform chemicals: Evaluation of thermochemical data of alkyl lactates with complementary experimental and computational methods
Pvap	8.68e-03	kPa	277.20	Renewable platform chemicals: Evaluation of thermochemical data of alkyl lactates with complementary experimental and computational methods
Pvap	9.96e-03	kPa	279.20	Renewable platform chemicals: Evaluation of thermochemical data of alkyl lactates with complementary experimental and computational methods
Pvap	0.01	kPa	280.70	Renewable platform chemicals: Evaluation of thermochemical data of alkyl lactates with complementary experimental and computational methods
Pvap	0.01	kPa	281.80	Renewable platform chemicals: Evaluation of thermochemical data of alkyl lactates with complementary experimental and computational methods
Pvap	0.01	kPa	283.20	Renewable platform chemicals: Evaluation of thermochemical data of alkyl lactates with complementary experimental and computational methods
Pvap	0.02	kPa	285.40	Renewable platform chemicals: Evaluation of thermochemical data of alkyl lactates with complementary experimental and computational methods
Pvap	0.02	kPa	287.30	Renewable platform chemicals: Evaluation of thermochemical data of alkyl lactates with complementary experimental and computational methods
Pvap	0.03	kPa	290.30	Renewable platform chemicals: Evaluation of thermochemical data of alkyl lactates with complementary experimental and computational methods
Pvap	0.03	kPa	291.80	Renewable platform chemicals: Evaluation of thermochemical data of alkyl lactates with complementary experimental and computational methods
Pvap	0.04	kPa	293.30	Renewable platform chemicals: Evaluation of thermochemical data of alkyl lactates with complementary experimental and computational methods
Pvap	0.04	kPa	296.20	Renewable platform chemicals: Evaluation of thermochemical data of alkyl lactates with complementary experimental and computational methods
Pvap	0.06	kPa	299.20	Renewable platform chemicals: Evaluation of thermochemical data of alkyl lactates with complementary experimental and computational methods
Pvap	0.07	kPa	302.20	Renewable platform chemicals: Evaluation of thermochemical data of alkyl lactates with complementary experimental and computational methods
Pvap	0.10	kPa	305.10	Renewable platform chemicals: Evaluation of thermochemical data of alkyl lactates with complementary experimental and computational methods
Pvap	0.11	kPa	308.10	Renewable platform chemicals: Evaluation of thermochemical data of alkyl lactates with complementary experimental and computational methods
Pvap	0.13	kPa	308.50	Renewable platform chemicals: Evaluation of thermochemical data of alkyl lactates with complementary experimental and computational methods
Pvap	0.15	kPa	311.00	Renewable platform chemicals: Evaluation of thermochemical data of alkyl lactates with complementary experimental and computational methods
Pvap	0.16	kPa	313.00	Renewable platform chemicals: Evaluation of thermochemical data of alkyl lactates with complementary experimental and computational methods
Pvap	0.19	kPa	314.50	Renewable platform chemicals: Evaluation of thermochemical data of alkyl lactates with complementary experimental and computational methods
Pvap	0.23	kPa	317.00	Renewable platform chemicals: Evaluation of thermochemical data of alkyl lactates with complementary experimental and computational methods
Pvap	0.25	kPa	318.90	Renewable platform chemicals: Evaluation of thermochemical data of alkyl lactates with complementary experimental and computational methods
Pvap	0.35	kPa	322.90	Renewable platform chemicals: Evaluation of thermochemical data of alkyl lactates with complementary experimental and computational methods
n0	1.42180		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
ρl	[937.32; 996.90]	kg/m3	[278.15; 338.15]
ρl	996.90	kg/m3	278.15	Thermophysical Properties of Lactates
ρl	994.47	kg/m3	280.65	Thermophysical Properties of Lactates
ρl	992.02	kg/m3	283.15	Thermophysical Properties of Lactates
ρl	989.58	kg/m3	285.65	Thermophysical Properties of Lactates
ρl	987.27	kg/m3	288.15	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.
ρl	987.13	kg/m3	288.15	Thermophysical Properties of Lactates
ρl	984.67	kg/m3	290.65	Thermophysical Properties of Lactates
ρl	982.37	kg/m3	293.15	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.
ρl	982.00	kg/m3	293.15	Investigation of the Solubilities of Carbon Dioxide in Some Low Volatile Solvents and Their Thermodynamic Properties
ρl	981.50	kg/m3	293.15	Investigation of SO2 solubilities in some biobased solvents and their thermodynamic properties
ρl	982.21	kg/m3	293.15	Thermophysical Properties of Lactates
ρl	979.75	kg/m3	295.65	Thermophysical Properties of Lactates
ρl	977.45	kg/m3	298.15	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.
ρl	977.00	kg/m3	298.15	Investigation of SO2 solubilities in some biobased solvents and their thermodynamic properties
ρl	977.28	kg/m3	298.15	Self-aggregation of liquids from biomass in aqueous solution
ρl	977.28	kg/m3	298.15	Thermophysical Properties of Lactates
ρl	974.81	kg/m3	300.65	Thermophysical Properties of Lactates
ρl	972.51	kg/m3	303.15	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.
ρl	972.34	kg/m3	303.15	Thermophysical Properties of Lactates
ρl	973.10	kg/m3	303.15	Investigation of SO2 solubilities in some biobased solvents and their thermodynamic properties
ρl	969.86	kg/m3	305.65	Thermophysical Properties of Lactates
ρl	967.57	kg/m3	308.15	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.
ρl	968.40	kg/m3	308.15	Investigation of SO2 solubilities in some biobased solvents and their thermodynamic properties
ρl	967.37	kg/m3	308.15	Thermophysical Properties of Lactates
ρl	964.89	kg/m3	310.65	Thermophysical Properties of Lactates
ρl	962.40	kg/m3	313.15	Thermophysical Properties of Lactates
ρl	963.50	kg/m3	313.15	Investigation of SO2 solubilities in some biobased solvents and their thermodynamic properties
ρl	962.60	kg/m3	313.15	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.
ρl	959.90	kg/m3	315.65	Thermophysical Properties of Lactates
ρl	958.50	kg/m3	318.15	Investigation of SO2 solubilities in some biobased solvents and their thermodynamic properties
ρl	957.62	kg/m3	318.15	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.
ρl	957.41	kg/m3	318.15	Thermophysical Properties of Lactates
ρl	954.91	kg/m3	320.65	Thermophysical Properties of Lactates
ρl	952.41	kg/m3	323.15	Thermophysical Properties of Lactates
ρl	953.90	kg/m3	323.15	Investigation of SO2 solubilities in some biobased solvents and their thermodynamic properties
ρl	952.63	kg/m3	323.15	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.
ρl	949.90	kg/m3	325.65	Thermophysical Properties of Lactates
ρl	948.90	kg/m3	328.15	Investigation of SO2 solubilities in some biobased solvents and their thermodynamic properties
ρl	947.40	kg/m3	328.15	Thermophysical Properties of Lactates
ρl	944.88	kg/m3	330.65	Thermophysical Properties of Lactates
ρl	944.10	kg/m3	333.15	Investigation of SO2 solubilities in some biobased solvents and their thermodynamic properties
ρl	942.37	kg/m3	333.15	Thermophysical Properties of Lactates
ρl	939.85	kg/m3	335.65	Thermophysical Properties of Lactates
ρl	940.10	kg/m3	338.15	Investigation of SO2 solubilities in some biobased solvents and their thermodynamic properties
ρl	937.32	kg/m3	338.15	Thermophysical Properties of Lactates

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

• 1-Butanol + Butyl lactate
• Butyl lactate + Water
• Butyl lactate + Sulfur dioxide
• 1-Propanol + Butyl lactate
• Propylene Glycol + Butyl lactate
• 1,3-Propanediol + Butyl lactate
• Carbon dioxide + Butyl lactate
• 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

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.