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

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

• 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).
• 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 : 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
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°	6.47	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	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
I	[1592.00; 1673.00]
I	1666.00		NIST
I	1662.00		NIST
I	1644.00		NIST
I	1635.00		NIST
I	1618.00		NIST
I	1673.00		NIST
I	1620.00		NIST
I	1600.00		NIST
I	1637.00		NIST
I	1646.00		NIST
I	1593.00		NIST
I	1652.00		NIST
I	1651.00		NIST
I	1632.00		NIST
I	1595.00		NIST
I	1641.00		NIST
I	1645.00		NIST
I	1626.00		NIST
I	1617.00		NIST
I	1602.00		NIST
I	1643.00		NIST
I	1640.00		NIST
I	1635.00		NIST
I	1614.00		NIST
I	1611.00		NIST
I	1628.00		NIST
I	1623.00		NIST
I	1635.00		NIST
I	1664.00		NIST
I	1615.00		NIST
I	1635.00		NIST
I	1601.00		NIST
I	1637.00		NIST
I	1636.00		NIST
I	1611.00		NIST
I	1607.00		NIST
I	1604.00		NIST
I	1650.00		NIST
I	1611.00		NIST
I	1635.00		NIST
I	1635.00		NIST
I	1635.00		NIST
I	1624.00		NIST
I	1607.00		NIST
I	1666.00		NIST
I	1618.00		NIST
I	1619.00		NIST
I	1624.00		NIST
I	1670.00		NIST
I	1666.00		NIST
I	1668.00		NIST
I	1671.00		NIST
I	1623.00		NIST
I	1665.00		NIST
I	1662.00		NIST
I	1651.00		NIST
I	1671.00		NIST
I	1631.00		NIST
I	1634.00		NIST
I	1644.00		NIST
I	1626.00		NIST
I	1652.00		NIST
I	1665.00		NIST
I	1640.00		NIST
I	1635.00		NIST
I	1613.00		NIST
I	1668.00		NIST
I	1666.00		NIST
I	1608.00		NIST
I	1618.00		NIST
I	1622.00		NIST
I	1673.00		NIST
I	1610.00		NIST
I	1673.00		NIST
I	1673.00		NIST
I	1608.00		NIST
I	1652.00		NIST
I	1626.00		NIST
I	1623.00		NIST
I	1620.00		NIST
I	1623.00		NIST
I	1618.00		NIST
I	1647.00		NIST
I	1607.00		NIST
I	1600.00		NIST
I	1620.00		NIST
I	1596.00		NIST
I	1637.00		NIST
I	1640.00		NIST
I	1637.00		NIST
I	1640.00		NIST
I	1646.00		NIST
I	1637.00		NIST
I	1635.00		NIST
I	1660.00		NIST
I	1611.00		NIST
I	1593.00		NIST
I	1610.00		NIST
I	1609.00		NIST
I	1632.00		NIST
I	1646.00		NIST
I	1652.00		NIST
I	1605.00		NIST
I	1592.00		NIST
I	1640.00		NIST
I	1596.00		NIST
I	1651.00		NIST
I	1601.00		NIST
I	1632.00		NIST
I	1647.00		NIST
I	1625.00		NIST
I	1632.00		NIST
I	1650.00		NIST
I	1624.00		NIST
I	1619.00		NIST
I	1641.00		NIST
I	1595.00		NIST
I	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 ± 0.40	K	NIST
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

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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,gas	[116.24; 168.36]	J/mol×K	[405.64; 628.74]
Cp,gas	116.24	J/mol×K	405.64	Joback Calculated Property
Cp,gas	125.93	J/mol×K	442.82	Joback Calculated Property
Cp,gas	135.22	J/mol×K	480.01	Joback Calculated Property
Cp,gas	144.12	J/mol×K	517.19	Joback Calculated Property
Cp,gas	152.61	J/mol×K	554.37	Joback Calculated Property
Cp,gas	160.69	J/mol×K	591.56	Joback Calculated Property
Cp,gas	168.36	J/mol×K	628.74	Joback Calculated Property
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

Similar Compounds

Find more compounds similar to Butyrolactone.

Sources

• 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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.