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_fG° : Standard Gibbs free energy of formation (kJ/mol).
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).
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).
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).
V_c : Critical Volume (m³/kmol).
¹: Molecular weight from the IUPAC atomic weights tables.

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Physical Properties

Property	Value	Unit	Source
PAff	840.00	kJ/mol	NIST
BasG	808.10	kJ/mol	NIST
Δ_cH°_liquid	[-2012.46; -2000.40]	kJ/mol
Δ_cH°_liquid	-2010.60 ± 0.50	kJ/mol	NIST
Δ_cH°_liquid	-2012.46 ± 0.28	kJ/mol	NIST
Δ_cH°_liquid	-2000.40 ± 6.40	kJ/mol	NIST
Δ_cH°_liquid	-2009.20 ± 0.80	kJ/mol	NIST
Δ_fG°	-181.65	kJ/mol	Joback Calculated Property
Δ_fH°_gas	[-377.70; -364.00]	kJ/mol
Δ_fH°_gas	-364.00 ± 3.00	kJ/mol	NIST
Δ_fH°_gas	-366.50 ± 0.80	kJ/mol	NIST
Δ_fH°_gas	-365.61 ± 0.44	kJ/mol	NIST
Δ_fH°_gas	-377.70	kJ/mol	NIST
Δ_fH°_gas	-368.50	kJ/mol	NIST
Δ_fH°_liquid	[-431.20; -419.00]	kJ/mol
Δ_fH°_liquid	-419.00 ± 3.00	kJ/mol	NIST
Δ_fH°_liquid	-420.90 ± 0.70	kJ/mol	NIST
Δ_fH°_liquid	-419.07 ± 0.36	kJ/mol	NIST
Δ_fH°_liquid	-431.20 ± 2.70	kJ/mol	NIST
Δ_fH°_liquid	-422.00 ± 1.10	kJ/mol	NIST
Δ_fusH°	6.47	kJ/mol	Joback Calculated Property
Δ_vapH°	[47.60; 55.60]	kJ/mol
Δ_vapH°	Outlier 47.60 ± 4.00	kJ/mol	NIST
Δ_vapH°	55.00 ± 1.00	kJ/mol	NIST
Δ_vapH°	55.00	kJ/mol	NIST
Δ_vapH°	55.20 ± 1.30	kJ/mol	NIST
Δ_vapH°	55.60 ± 1.40	kJ/mol	NIST
Δ_vapH°	54.40 ± 0.40	kJ/mol	NIST
Δ_vapH°	54.40	kJ/mol	NIST
Δ_vapH°	54.40 ± 0.40	kJ/mol	NIST
Δ_vapH°	48.90 ± 0.30	kJ/mol	NIST
Δ_vapH°	54.90 ± 0.20	kJ/mol	NIST
Δ_vapH°	53.46 ± 0.13	kJ/mol	NIST
Δ_vapH°	53.50	kJ/mol	NIST
Δ_vapH°	51.50	kJ/mol	NIST
Δ_vapH°	54.60 ± 0.20	kJ/mol	NIST
Δ_vapH°	53.10 ± 0.20	kJ/mol	NIST
Δ_vapH°	48.00 ± 0.40	kJ/mol	NIST
IE	[10.26; 10.26]	eV
IE	10.26	eV	NIST
IE	10.26	eV	NIST
log₁₀WS	-0.25		Crippen Calculated Property
logP_oct/wat	0.323		Crippen Calculated Property
McVol	63.800	ml/mol	McGowan Calculated Property
P_c	5131.00 ± 40.00	kPa	NIST
I_np	[861.00; 941.00]
I_np	875.00		NIST
I_np	895.00		NIST
I_np	908.00		NIST
I_np	865.00		NIST
I_np	866.00		NIST
I_np	915.00		NIST
I_np	915.00		NIST
I_np	901.00		NIST
I_np	870.00		NIST
I_np	915.00		NIST
I_np	920.00		NIST
I_np	916.00		NIST
I_np	908.00		NIST
I_np	922.00		NIST
I_np	916.00		NIST
I_np	867.00		NIST
I_np	Outlier 861.00		NIST
I_np	Outlier 862.00		NIST
I_np	864.00		NIST
I_np	917.00		NIST
I_np	894.00		NIST
I_np	913.00		NIST
I_np	915.00		NIST
I_np	915.00		NIST
I_np	904.00		NIST
I_np	920.00		NIST
I_np	916.00		NIST
I_np	917.00		NIST
I_np	938.00		NIST
I_np	913.80		NIST
I_np	908.00		NIST
I_np	909.00		NIST
I_np	871.00		NIST
I_np	912.00		NIST
I_np	908.00		NIST
I_np	925.00		NIST
I_np	914.00		NIST
I_np	867.00		NIST
I_np	922.00		NIST
I_np	941.00		NIST
I_np	921.00		NIST
I_np	921.00		NIST
I_np	913.00		NIST
I_np	941.00		NIST
I_np	909.00		NIST
I_np	917.00		NIST
I_np	920.00		NIST
I_np	915.00		NIST
I_np	911.00		NIST
I_np	891.00		NIST
I_np	891.00		NIST
I_np	910.00		NIST
I_np	891.00		NIST
I_np	915.00		NIST
I_np	924.00		NIST
I_np	918.00		NIST
I_np	918.00		NIST
I_np	866.00		NIST
I_np	899.00		NIST
I_np	905.00		NIST
I_np	915.00		NIST
I_np	920.00		NIST
I_np	867.00		NIST
I_np	922.00		NIST
I_np	941.00		NIST
I_np	911.00		NIST
I_np	899.00		NIST
I	[1592.00; 1673.00]
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	1619.00		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	1595.00		NIST
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	1650.00		NIST
I	1624.00		NIST
I	1619.00		NIST
I	1641.00		NIST
I	1626.00		NIST
I	1646.00		NIST
I	1593.00		NIST
I	1652.00		NIST
I	1651.00		NIST
I	1632.00		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
T_boil	[477.70; 479.20]	K
T_boil	477.70	K	NIST
T_boil	479.20 ± 0.20	K	NIST
T_c	731.00 ± 0.40	K	NIST
T_fus	229.00 ± 0.60	K	NIST
T_triple	[229.78; 229.78]	K
T_triple	229.78 ± 0.02	K	NIST
T_triple	229.78 ± 0.01	K	NIST
T_triple	229.78 ± 0.05	K	NIST
V_c	0.230	m³/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
C_p,gas	[116.24; 168.36]	J/mol×K	[405.64; 628.74]
T(K) Ideal gas heat capacity (J/mol×K) 120 130 140 150 160 170 450 500 550 600
C_p,gas	116.24	J/mol×K	405.64	Joback Calculated Property
C_p,gas	125.93	J/mol×K	442.82	Joback Calculated Property
C_p,gas	135.22	J/mol×K	480.01	Joback Calculated Property
C_p,gas	144.12	J/mol×K	517.19	Joback Calculated Property
C_p,gas	152.61	J/mol×K	554.37	Joback Calculated Property
C_p,gas	160.69	J/mol×K	591.56	Joback Calculated Property
C_p,gas	168.36	J/mol×K	628.74	Joback Calculated Property
C_p,liquid	[140.50; 141.40]	J/mol×K	[298.15; 298.15]
T(K) Liquid phase heat capacity (J/mol×K) 140.6 140.8 141 141.2 141.4
C_p,liquid	140.50	J/mol×K	298.15	NIST
C_p,liquid	140.90	J/mol×K	298.15	NIST
C_p,liquid	141.30	J/mol×K	298.15	NIST
C_p,liquid	141.30	J/mol×K	298.15	NIST
C_p,liquid	141.40	J/mol×K	298.15	NIST
Δ_fusH	[9.57; 9.57]	kJ/mol	[229.78; 230.00]
Δ_fusH	9.57	kJ/mol	229.78	NIST
Δ_fusH	9.57	kJ/mol	229.78	NIST
Δ_fusH	9.57	kJ/mol	230.00	NIST
Δ_vapH	[45.20; 51.80]	kJ/mol	[349.00; 433.00]
Δ_vapH	45.20 ± 0.40	kJ/mol	349.00	NIST
Δ_vapH	51.80 ± 0.60	kJ/mol	357.50	NIST
Δ_vapH	49.50 ± 0.10	kJ/mol	392.00	NIST
Δ_vapH	48.20	kJ/mol	433.00	NIST
Δ_fusS	[41.56; 41.56]	J/mol×K	[229.78; 229.78]
Δ_fusS	41.56	J/mol×K	229.78	NIST
Δ_fusS	41.56	J/mol×K	229.78	NIST

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
T_boilr	362.20	K	1.60	NIST

Similar Compounds

Find more compounds similar to Butyrolactone.

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

Physical Properties

Temperature Dependent Properties

Pressure Dependent Properties

Similar Compounds

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