2H-Pyran-2-one, tetrahydro- (CAS 542-28-9)

InChI

InChI=1S/C5H8O2/c6-5-3-1-2-4-7-5/h1-4H2

InChI Key

OZJPLYNZGCXSJM-UHFFFAOYSA-N

Formula

C5H8O2

SMILES

O=C1CCCCO1

Molecular Weight¹

100.12

CAS

542-28-9

Other Names

.delta.-valerolactone
1-Oxacyclohexan-2-one
5-Hydroxypentanoic acid «delta»-lactone
5-Hydroxypentanoic acid Â«deltaÂ»-lactone
5-Pentanolide
5-Valerolactone
Cyclopentanolide
Delta-valerolactone
NSC 6247
Pentan-5-olide
Pentanoic acid, 5-hydroxy-, «delta»-lactone
Pentanoic acid, 5-hydroxy-, Â«deltaÂ»-lactone
Tetrahydro-2-pyranone
Tetrahydro-2H-pyran-2-one
Tetrahydropyran-2-one
Valeric acid, «delta»-hydroxy-, «delta»-lactone
Valeric acid, Â«deltaÂ»-hydroxy-, Â«deltaÂ»-lactone
oxan-2-one
valeric acid, .delta.-hydroxy-, lactone
«delta»-Pentalactone
«delta»-Valerolactone
«delta»-Valeryllactone
Â«deltaÂ»-Pentalactone
Â«deltaÂ»-Valerolactone
Â«deltaÂ»-Valeryllactone

ω : Acentric Factor.
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_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).
P_vap : Vapor pressure (kPa).
I_np : Non-polar retention indices.
I : Polar retention indices.
S°_liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
c_sound,fluid : Speed of sound in fluid (m/s).
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
ω	0.3439		Relay (1.0) Calculated Property
Δ_cH°_liquid	-2673.30 ± 0.50	kJ/mol	NIST
Δ_fG°	-185.33	kJ/mol	Joback Calculated Property
Δ_fH°_gas	[-379.60; -376.00]	kJ/mol
Δ_fH°_gas	-376.00 ± 3.00	kJ/mol	NIST
Δ_fH°_gas	-379.60 ± 0.90	kJ/mol	NIST
Δ_fH°_liquid	[-437.60; -436.00]	kJ/mol
Δ_fH°_liquid	-436.00 ± 3.00	kJ/mol	NIST
Δ_fH°_liquid	-437.60 ± 0.80	kJ/mol	NIST
Δ_fusH°	6.96	kJ/mol	Joback Calculated Property
Δ_vapH°	50.72	kJ/mol	Relay (1.0) Calculated Property
IE	9.99	eV	Relay (1.0) Calculated Property
log₁₀WS	-0.13		Relay (1.0) Calculated Property
logP_oct/wat	0.714		Crippen Calculated Property
McVol	77.890	ml/mol	McGowan Calculated Property
P_c	4862.97	kPa	Joback Calculated Property
I_np	[954.00; 1010.00]
I_np	1010.00		NIST
I_np	954.00		NIST
I_np	961.00		NIST
I_np	965.00		NIST
I_np	991.00		NIST
I_np	991.00		NIST
I_np	961.00		NIST
I	[1730.00; 1786.00]
I	1780.00		NIST
I	1784.00		NIST
I	1785.00		NIST
I	1786.00		NIST
I	1730.00		NIST
S°_liquid	[219.00; 219.00]	J/mol×K
S°_liquid	219.00	J/mol×K	NIST
S°_liquid	219.00	J/mol×K	NIST
S°_liquid	219.00	J/mol×K	NIST
T_boil	492.20	K	NIST
T_c	705.10	K	Relay (1.0) Calculated Property
T_fus	262.80 ± 0.60	K	NIST
T_triple	[262.82; 262.82]	K
T_triple	262.82 ± 0.02	K	NIST
T_triple	262.82 ± 0.02	K	NIST
T_triple	262.82 ± 0.02	K	NIST
V_c	0.274	m³/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
C_p,gas	[151.33; 216.74]	J/mol×K	[432.79; 662.42]

C_p,gas	151.33	J/mol×K	432.79	Joback Calculated Property
C_p,gas	163.57	J/mol×K	471.06	Joback Calculated Property
C_p,gas	175.28	J/mol×K	509.33	Joback Calculated Property
C_p,gas	186.47	J/mol×K	547.60	Joback Calculated Property
C_p,gas	197.12	J/mol×K	585.88	Joback Calculated Property
C_p,gas	207.21	J/mol×K	624.15	Joback Calculated Property
C_p,gas	216.74	J/mol×K	662.42	Joback Calculated Property
C_p,liquid	[171.60; 171.60]	J/mol×K	[298.15; 298.15]
C_p,liquid	171.60	J/mol×K	298.15	NIST
C_p,liquid	171.60	J/mol×K	298.15	NIST
C_p,liquid	171.60	J/mol×K	298.15	NIST
η	[0.0021191; 0.0027577]	Pa×s	[303.15; 318.15]
η	0.0027577	Pa×s	303.15	Volumetric and transport properties of binary liquid mixtures of N-methylacetamide with lactones at temperatures (303.15 to 318.15) K
η	0.0024957	Pa×s	308.15	Volumetric and transport properties of binary liquid mixtures of N-methylacetamide with lactones at temperatures (303.15 to 318.15) K
η	0.0023130	Pa×s	313.15	Volumetric and transport properties of binary liquid mixtures of N-methylacetamide with lactones at temperatures (303.15 to 318.15) K
η	0.0021191	Pa×s	318.15	Volumetric and transport properties of binary liquid mixtures of N-methylacetamide with lactones at temperatures (303.15 to 318.15) K
Δ_fusH	10.53	kJ/mol	263.00	NIST
Δ_vapH	[48.60; 52.40]	kJ/mol	[387.50; 410.50]
Δ_vapH	48.60	kJ/mol	387.50	NIST
Δ_vapH	52.40 ± 0.20	kJ/mol	410.50	NIST
P_vap	[2.83e-03; 0.51]	kPa	[278.40; 353.20]

P_vap	2.83e-03	kPa	278.40	Vapour pressures and enthalpies of vaporization of a series of d-lactones
P_vap	4.19e-03	kPa	283.20	Vapour pressures and enthalpies of vaporization of a series of d-lactones
P_vap	4.03e-03	kPa	283.20	Vapour pressures and enthalpies of vaporization of a series of d-lactones
P_vap	4.41e-03	kPa	283.30	Vapour pressures and enthalpies of vaporization of a series of d-lactones
P_vap	6.85e-03	kPa	288.20	Vapour pressures and enthalpies of vaporization of a series of d-lactones
P_vap	6.80e-03	kPa	288.30	Vapour pressures and enthalpies of vaporization of a series of d-lactones
P_vap	6.56e-03	kPa	288.30	Vapour pressures and enthalpies of vaporization of a series of d-lactones
P_vap	6.54e-03	kPa	288.30	Vapour pressures and enthalpies of vaporization of a series of d-lactones
P_vap	7.83e-03	kPa	290.30	Vapour pressures and enthalpies of vaporization of a series of d-lactones
P_vap	9.87e-03	kPa	293.10	Vapour pressures and enthalpies of vaporization of a series of d-lactones
P_vap	0.01	kPa	293.30	Vapour pressures and enthalpies of vaporization of a series of d-lactones
P_vap	0.01	kPa	294.20	Vapour pressures and enthalpies of vaporization of a series of d-lactones
P_vap	0.01	kPa	297.90	Vapour pressures and enthalpies of vaporization of a series of d-lactones
P_vap	0.02	kPa	298.20	Vapour pressures and enthalpies of vaporization of a series of d-lactones
P_vap	0.02	kPa	299.20	Vapour pressures and enthalpies of vaporization of a series of d-lactones
P_vap	0.02	kPa	303.10	Vapour pressures and enthalpies of vaporization of a series of d-lactones
P_vap	0.02	kPa	303.20	Vapour pressures and enthalpies of vaporization of a series of d-lactones
P_vap	0.02	kPa	304.30	Vapour pressures and enthalpies of vaporization of a series of d-lactones
P_vap	0.03	kPa	307.10	Vapour pressures and enthalpies of vaporization of a series of d-lactones
P_vap	0.03	kPa	307.10	Vapour pressures and enthalpies of vaporization of a series of d-lactones
P_vap	0.03	kPa	308.10	Vapour pressures and enthalpies of vaporization of a series of d-lactones
P_vap	0.04	kPa	309.30	Vapour pressures and enthalpies of vaporization of a series of d-lactones
P_vap	0.05	kPa	313.10	Vapour pressures and enthalpies of vaporization of a series of d-lactones
P_vap	0.05	kPa	313.10	Vapour pressures and enthalpies of vaporization of a series of d-lactones
P_vap	0.05	kPa	313.20	Vapour pressures and enthalpies of vaporization of a series of d-lactones
P_vap	0.05	kPa	313.20	Vapour pressures and enthalpies of vaporization of a series of d-lactones
P_vap	0.05	kPa	313.20	Vapour pressures and enthalpies of vaporization of a series of d-lactones
P_vap	0.06	kPa	318.10	Vapour pressures and enthalpies of vaporization of a series of d-lactones
P_vap	0.06	kPa	318.10	Vapour pressures and enthalpies of vaporization of a series of d-lactones
P_vap	0.07	kPa	318.10	Vapour pressures and enthalpies of vaporization of a series of d-lactones
P_vap	0.10	kPa	323.10	Vapour pressures and enthalpies of vaporization of a series of d-lactones
P_vap	0.09	kPa	323.20	Vapour pressures and enthalpies of vaporization of a series of d-lactones
P_vap	0.09	kPa	323.20	Vapour pressures and enthalpies of vaporization of a series of d-lactones
P_vap	0.12	kPa	328.10	Vapour pressures and enthalpies of vaporization of a series of d-lactones
P_vap	0.14	kPa	328.30	Vapour pressures and enthalpies of vaporization of a series of d-lactones
P_vap	0.12	kPa	328.40	Vapour pressures and enthalpies of vaporization of a series of d-lactones
P_vap	0.16	kPa	333.00	Vapour pressures and enthalpies of vaporization of a series of d-lactones
P_vap	0.18	kPa	333.20	Vapour pressures and enthalpies of vaporization of a series of d-lactones
P_vap	0.18	kPa	333.20	Vapour pressures and enthalpies of vaporization of a series of d-lactones
P_vap	0.23	kPa	338.10	Vapour pressures and enthalpies of vaporization of a series of d-lactones
P_vap	0.22	kPa	338.20	Vapour pressures and enthalpies of vaporization of a series of d-lactones
P_vap	0.24	kPa	338.20	Vapour pressures and enthalpies of vaporization of a series of d-lactones
P_vap	0.32	kPa	343.10	Vapour pressures and enthalpies of vaporization of a series of d-lactones
P_vap	0.30	kPa	343.20	Vapour pressures and enthalpies of vaporization of a series of d-lactones
P_vap	0.30	kPa	343.20	Vapour pressures and enthalpies of vaporization of a series of d-lactones
P_vap	0.41	kPa	348.20	Vapour pressures and enthalpies of vaporization of a series of d-lactones
P_vap	0.44	kPa	349.20	Vapour pressures and enthalpies of vaporization of a series of d-lactones
P_vap	0.46	kPa	350.20	Vapour pressures and enthalpies of vaporization of a series of d-lactones
P_vap	0.46	kPa	351.10	Vapour pressures and enthalpies of vaporization of a series of d-lactones
P_vap	0.49	kPa	352.10	Vapour pressures and enthalpies of vaporization of a series of d-lactones
P_vap	0.51	kPa	353.20	Vapour pressures and enthalpies of vaporization of a series of d-lactones
c_sound,fluid	[1481.50; 1587.22]	m/s	[293.15; 323.15]

c_sound,fluid	1587.22	m/s	293.15	A comparative study on the interactions of [bmim][NTf2] ionic liquid with selected four- to seven-membered-ring lactones
c_sound,fluid	1569.16	m/s	298.15	A comparative study on the interactions of [bmim][NTf2] ionic liquid with selected four- to seven-membered-ring lactones
c_sound,fluid	1551.27	m/s	303.15	A comparative study on the interactions of [bmim][NTf2] ionic liquid with selected four- to seven-membered-ring lactones
c_sound,fluid	1533.45	m/s	308.15	A comparative study on the interactions of [bmim][NTf2] ionic liquid with selected four- to seven-membered-ring lactones
c_sound,fluid	1516.01	m/s	313.15	A comparative study on the interactions of [bmim][NTf2] ionic liquid with selected four- to seven-membered-ring lactones
c_sound,fluid	1498.63	m/s	318.15	A comparative study on the interactions of [bmim][NTf2] ionic liquid with selected four- to seven-membered-ring lactones
c_sound,fluid	1481.50	m/s	323.15	A comparative study on the interactions of [bmim][NTf2] ionic liquid with selected four- to seven-membered-ring lactones

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
T_boilr	332.20	K	0.07	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
P_vap	[1.33; 202.58]	kPa	[358.92; 408.48]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			3.59800e+01
Coefficient B			-1.07999e+04
Coefficient C			-5.63340e+01
Temperature range, min.			358.92
Temperature range, max.			408.48

P_vap	1.33	kPa	358.92	Calculated Property
P_vap	2.52	kPa	364.43	Calculated Property
P_vap	4.67	kPa	369.93	Calculated Property
P_vap	8.46	kPa	375.44	Calculated Property
P_vap	15.03	kPa	380.95	Calculated Property
P_vap	26.18	kPa	386.45	Calculated Property
P_vap	44.77	kPa	391.96	Calculated Property
P_vap	75.27	kPa	397.47	Calculated Property
P_vap	124.46	kPa	402.97	Calculated Property
P_vap	202.58	kPa	408.48	Calculated Property

Similar Compounds

Find more compounds similar to 2H-Pyran-2-one, tetrahydro-.

Mixtures

Acetamide, N-methyl- + 2H-Pyran-2-one, tetrahydro-

Sources

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Chemical Properties of 2H-Pyran-2-one, tetrahydro- (CAS 542-28-9)