Chemical Properties of Butyrolactone (CAS 96-48-0)

InChI

InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2

InChI Key

YEJRWHAVMIAJKC-UHFFFAOYSA-N

Formula

C4H6O2

SMILES

O=C1CCCO1

Molecular Weight¹

86.09

CAS

96-48-0

Other Names

• 1,2-Butanolide
• 1,4-Butanolide
• 1,4-Butyrolactone
• 1-Oxacyclopentan-2-one
• 2(3H)-Furanone, dihydro-
• 2(3H)-dihydrofuranone
• 2-Dihydrofuranone
• 2-Oxolanone
• 2-Oxotetrahydrofuran
• 4-Butanolide
• 4-Butyrolactone
• 4-Deoxytetronic acid
• 4-Hydroxybutanoic acid lactone
• 4-Hydroxybutanoic acid, «gamma»-lactone
• 4-Hydroxybutyric acid lactone
• 4-Hydroxybutyric acid, «gamma»-lactone
• 6480
• Agrisynth BLO
• BLO
• BLON
• Butan-4-olide
• Butanoic acid, 4-hydroxy-, «gamma»-lactone
• Butyric acid lactone
• Butyric acid, 4-hydroxy-, gamma-lactone
• Butyric acid, 4-hydroxy-, «gamma»-lactone
• Butyryl lactone
• Butyrylactone
• Dihydro-(3 H)-furan-2-one
• Dihydro-2(3H)-furanone
• Dihydro-2(3H)-furanone (-butyrolactone)
• Dihydro-2-furanone
• Dihydrofuran-2(3H)-one
• GBL
• NCI-C55878
• NSC 4592
• Tetrahydro-2-furanone
• dihydro-2(3H)-furanone («gamma»-butyrolactone)
• dihydroxy-2(3H)-furanone
• gamma-Butyrolactone
• «gamma»-6480
• «gamma»-BL
• «gamma»-Butanolactone
• «gamma»-Butyrolactone
• «gamma»-Hydrooxybutyric acid lactone
• «gamma»-Hydroxybutyric acid cyclic ester
• «gamma»-Hydroxybutyric acid lactone
• «gamma»-Hydroxybutyrolactone

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• S°_liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.3425		PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
PAff	840.00	kJ/mol	NIST
BasG	808.10	kJ/mol	NIST
ΔcH°liquid	[-2012.46; -2000.40]	kJ/mol
ΔcH°liquid	-2010.60 ± 0.50	kJ/mol	NIST
ΔcH°liquid	-2012.46 ± 0.28	kJ/mol	NIST
ΔcH°liquid	-2000.40 ± 6.40	kJ/mol	NIST
ΔcH°liquid	-2009.20 ± 0.80	kJ/mol	NIST
ΔfH°gas	[-377.70; -364.00]	kJ/mol
ΔfH°gas	-364.00 ± 3.00	kJ/mol	NIST
ΔfH°gas	-366.50 ± 0.80	kJ/mol	NIST
ΔfH°gas	-365.61 ± 0.44	kJ/mol	NIST
ΔfH°gas	-377.70	kJ/mol	NIST
ΔfH°gas	-368.50	kJ/mol	NIST
ΔfH°liquid	[-431.20; -419.00]	kJ/mol
ΔfH°liquid	-419.00 ± 3.00	kJ/mol	NIST
ΔfH°liquid	-420.90 ± 0.70	kJ/mol	NIST
ΔfH°liquid	-419.07 ± 0.36	kJ/mol	NIST
ΔfH°liquid	-431.20 ± 2.70	kJ/mol	NIST
ΔfH°liquid	-422.00 ± 1.10	kJ/mol	NIST
ΔfusH°	7.55	kJ/mol	Joback Calculated Property
ΔvapH°	[47.60; 55.60]	kJ/mol
ΔvapH°	Outlier 47.60 ± 4.00	kJ/mol	NIST
ΔvapH°	55.00 ± 1.00	kJ/mol	NIST
ΔvapH°	55.00	kJ/mol	NIST
ΔvapH°	55.20 ± 1.30	kJ/mol	NIST
ΔvapH°	55.60 ± 1.40	kJ/mol	NIST
ΔvapH°	54.40 ± 0.40	kJ/mol	NIST
ΔvapH°	54.40	kJ/mol	NIST
ΔvapH°	54.40 ± 0.40	kJ/mol	NIST
ΔvapH°	48.90 ± 0.30	kJ/mol	NIST
ΔvapH°	54.90 ± 0.20	kJ/mol	NIST
ΔvapH°	53.46 ± 0.13	kJ/mol	NIST
ΔvapH°	53.50	kJ/mol	NIST
ΔvapH°	51.50	kJ/mol	NIST
ΔvapH°	54.60 ± 0.20	kJ/mol	NIST
ΔvapH°	53.10 ± 0.20	kJ/mol	NIST
ΔvapH°	48.00 ± 0.40	kJ/mol	NIST
IE	[10.26; 10.26]	eV
IE	10.26	eV	NIST
IE	10.26	eV	NIST
logPoct/wat	0.323		Crippen Calculated Property
McVol	63.800	ml/mol	McGowan Calculated Property
Pc	[5130.00; 5131.00]	kPa
Pc	5130.00	kPa	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value
Pc	5131.00	kPa	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Pc	5131.00 ± 40.00	kPa	NIST
Inp	[861.00; 941.00]
Inp	915.00		NIST
Inp	920.00		NIST
Inp	867.00		NIST
Inp	875.00		NIST
Inp	895.00		NIST
Inp	908.00		NIST
Inp	865.00		NIST
Inp	866.00		NIST
Inp	915.00		NIST
Inp	915.00		NIST
Inp	901.00		NIST
Inp	870.00		NIST
Inp	915.00		NIST
Inp	920.00		NIST
Inp	916.00		NIST
Inp	908.00		NIST
Inp	922.00		NIST
Inp	916.00		NIST
Inp	867.00		NIST
Inp	Outlier 861.00		NIST
Inp	Outlier 862.00		NIST
Inp	864.00		NIST
Inp	917.00		NIST
Inp	894.00		NIST
Inp	913.00		NIST
Inp	915.00		NIST
Inp	915.00		NIST
Inp	904.00		NIST
Inp	920.00		NIST
Inp	916.00		NIST
Inp	917.00		NIST
Inp	938.00		NIST
Inp	913.80		NIST
Inp	908.00		NIST
Inp	909.00		NIST
Inp	871.00		NIST
Inp	912.00		NIST
Inp	908.00		NIST
Inp	925.00		NIST
Inp	914.00		NIST
Inp	867.00		NIST
Inp	922.00		NIST
Inp	941.00		NIST
Inp	921.00		NIST
Inp	921.00		NIST
Inp	913.00		NIST
Inp	941.00		NIST
Inp	909.00		NIST
Inp	917.00		NIST
Inp	920.00		NIST
Inp	915.00		NIST
Inp	911.00		NIST
Inp	891.00		NIST
Inp	891.00		NIST
Inp	910.00		NIST
Inp	891.00		NIST
Inp	915.00		NIST
Inp	924.00		NIST
Inp	918.00		NIST
Inp	866.00		NIST
Inp	899.00		NIST
Inp	905.00		NIST
Inp	922.00		NIST
Inp	941.00		NIST
Inp	911.00		NIST
Inp	899.00		NIST
Ip	[1592.00; 1673.00]
Ip	1666.00		NIST
Ip	1662.00		NIST
Ip	1644.00		NIST
Ip	1635.00		NIST
Ip	1618.00		NIST
Ip	1673.00		NIST
Ip	1620.00		NIST
Ip	1600.00		NIST
Ip	1637.00		NIST
Ip	1646.00		NIST
Ip	1593.00		NIST
Ip	1652.00		NIST
Ip	1651.00		NIST
Ip	1632.00		NIST
Ip	1595.00		NIST
Ip	1641.00		NIST
Ip	1645.00		NIST
Ip	1626.00		NIST
Ip	1617.00		NIST
Ip	1602.00		NIST
Ip	1643.00		NIST
Ip	1640.00		NIST
Ip	1635.00		NIST
Ip	1614.00		NIST
Ip	1611.00		NIST
Ip	1628.00		NIST
Ip	1623.00		NIST
Ip	1635.00		NIST
Ip	1664.00		NIST
Ip	1615.00		NIST
Ip	1635.00		NIST
Ip	1601.00		NIST
Ip	1637.00		NIST
Ip	1636.00		NIST
Ip	1611.00		NIST
Ip	1607.00		NIST
Ip	1604.00		NIST
Ip	1650.00		NIST
Ip	1611.00		NIST
Ip	1635.00		NIST
Ip	1635.00		NIST
Ip	1635.00		NIST
Ip	1624.00		NIST
Ip	1607.00		NIST
Ip	1666.00		NIST
Ip	1618.00		NIST
Ip	1619.00		NIST
Ip	1624.00		NIST
Ip	1670.00		NIST
Ip	1666.00		NIST
Ip	1668.00		NIST
Ip	1671.00		NIST
Ip	1623.00		NIST
Ip	1665.00		NIST
Ip	1662.00		NIST
Ip	1651.00		NIST
Ip	1671.00		NIST
Ip	1631.00		NIST
Ip	1634.00		NIST
Ip	1644.00		NIST
Ip	1626.00		NIST
Ip	1652.00		NIST
Ip	1665.00		NIST
Ip	1640.00		NIST
Ip	1635.00		NIST
Ip	1613.00		NIST
Ip	1668.00		NIST
Ip	1666.00		NIST
Ip	1608.00		NIST
Ip	1618.00		NIST
Ip	1622.00		NIST
Ip	1673.00		NIST
Ip	1610.00		NIST
Ip	1673.00		NIST
Ip	1673.00		NIST
Ip	1608.00		NIST
Ip	1652.00		NIST
Ip	1626.00		NIST
Ip	1623.00		NIST
Ip	1620.00		NIST
Ip	1623.00		NIST
Ip	1618.00		NIST
Ip	1647.00		NIST
Ip	1607.00		NIST
Ip	1600.00		NIST
Ip	1620.00		NIST
Ip	1596.00		NIST
Ip	1637.00		NIST
Ip	1640.00		NIST
Ip	1637.00		NIST
Ip	1640.00		NIST
Ip	1646.00		NIST
Ip	1637.00		NIST
Ip	1635.00		NIST
Ip	1660.00		NIST
Ip	1611.00		NIST
Ip	1593.00		NIST
Ip	1610.00		NIST
Ip	1609.00		NIST
Ip	1632.00		NIST
Ip	1646.00		NIST
Ip	1652.00		NIST
Ip	1605.00		NIST
Ip	1592.00		NIST
Ip	1640.00		NIST
Ip	1596.00		NIST
Ip	1651.00		NIST
Ip	1601.00		NIST
Ip	1632.00		NIST
Ip	1647.00		NIST
Ip	1625.00		NIST
Ip	1632.00		NIST
Ip	1650.00		NIST
Ip	1624.00		NIST
Ip	1619.00		NIST
Ip	1641.00		NIST
Ip	1595.00		NIST
Ip	1626.00		NIST
S°liquid	[197.40; 201.28]	J/mol×K
S°liquid	197.40	J/mol×K	NIST
S°liquid	197.50	J/mol×K	NIST
S°liquid	201.28	J/mol×K	NIST
Tboil	[477.70; 479.20]	K
Tboil	477.70	K	NIST
Tboil	479.20 ± 0.20	K	NIST
Tc	[731.00; 731.00]	K
Tc	731.00	K	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value
Tc	731.00	K	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tc	731.00 ± 0.40	K	NIST
Tfus	[229.00; 229.85]	K
Tfus	229.85	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	229.00 ± 0.60	K	NIST
Ttriple	[229.78; 229.78]	K
Ttriple	229.78 ± 0.02	K	NIST
Ttriple	229.78 ± 0.01	K	NIST
Ttriple	229.78 ± 0.05	K	NIST
Ttriple	229.78 ± 0.02	K	NIST
Vc	0.244	m3/kmol	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value

Cheméo can also estimate Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l 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,liquid	[140.50; 141.40]	J/mol×K	[298.15; 298.15]
Cp,liquid	140.50	J/mol×K	298.15	NIST
Cp,liquid	140.90	J/mol×K	298.15	NIST
Cp,liquid	141.30	J/mol×K	298.15	NIST
Cp,liquid	141.30	J/mol×K	298.15	NIST
Cp,liquid	141.40	J/mol×K	298.15	NIST
ΔfusH	[9.57; 9.57]	kJ/mol	[229.78; 230.00]
ΔfusH	9.57	kJ/mol	229.78	NIST
ΔfusH	9.57	kJ/mol	229.78	NIST
ΔfusH	9.57	kJ/mol	229.78	NIST
ΔfusH	9.57	kJ/mol	230.00	NIST
ΔvapH	[45.20; 51.80]	kJ/mol	[349.00; 433.00]
ΔvapH	45.20 ± 0.40	kJ/mol	349.00	NIST
ΔvapH	51.80 ± 0.60	kJ/mol	357.50	NIST
ΔvapH	49.50 ± 0.10	kJ/mol	392.00	NIST
ΔvapH	48.20	kJ/mol	433.00	NIST
ΔfusS	[41.56; 41.56]	J/mol×K	[229.78; 229.78]
ΔfusS	41.56	J/mol×K	229.78	NIST
ΔfusS	41.56	J/mol×K	229.78	NIST
ΔfusS	41.56	J/mol×K	229.78	NIST

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[80.97; 206.88]	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			-3.15200e+01
Coefficient B			5.06400e-01
Coefficient C			-3.74800e-04
Coefficient D			1.06800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	80.97	J/mol×K	273.00	Calculated Property
Cp,gas	105.45	J/mol×K	353.78	Calculated Property
Cp,gas	126.53	J/mol×K	434.56	Calculated Property
Cp,gas	144.53	J/mol×K	515.33	Calculated Property
Cp,gas	159.79	J/mol×K	596.11	Calculated Property
Cp,gas	172.65	J/mol×K	676.89	Calculated Property
Cp,gas	183.46	J/mol×K	757.67	Calculated Property
Cp,gas	192.54	J/mol×K	838.44	Calculated Property
Cp,gas	200.23	J/mol×K	919.22	Calculated Property
Cp,gas	206.88	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0013852; 0.0001982]	Pa×s	[229.43; 511.70]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.01066e+01
Coefficient B			8.08650e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			229.43
Temperature range, max.			511.70
η	0.0013852	Pa×s	229.43	Calculated Property
η	0.0009066	Pa×s	260.79	Calculated Property
η	0.0006499	Pa×s	292.15	Calculated Property
η	0.0004969	Pa×s	323.52	Calculated Property
η	0.0003984	Pa×s	354.88	Calculated Property
η	0.0003311	Pa×s	386.24	Calculated Property
η	0.0002830	Pa×s	417.61	Calculated Property
η	0.0002472	Pa×s	448.97	Calculated Property
η	0.0002197	Pa×s	480.34	Calculated Property
η	0.0001982	Pa×s	511.70	Calculated Property

Similar Compounds

Find more compounds similar to Butyrolactone.

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).
• IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 ChEDL chemicals 1.5.2, from Kudchadker, A. P.; Ambrose, D.; Tsonopoulos, C. Vapor-Liquid Critical Properties of Elements and Compounds. 7. Oxygen Compounds Other Than Alkanols and Cycloalkanols. J. Chem. Eng. Data 2001, 46, 457-479.
• PSRK revision IV (2005), critical constants and acentric factors of 1000 components ChEDL chemicals 1.5.2, from Horstmann, S.; Jabłoniec, A.; Krafczyk, J.; Fischer, K.; Gmehling, J. PSRK Group Contribution Equation of State: Comprehensive Revision and Extension IV, Including Critical Constants and α-Function Parameters for 1000 Components. Fluid Phase Equilib. 2005, 227, 157-164.
• Crippen Method
• Crippen Method
• 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.
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