Chemical Properties of 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-Pentanolide
• 5-valerolactone
• Cyclopentanolide
• Delta-valerolactone
• NSC 6247
• Pentan-5-olide
• Pentanoic acid, 5-hydroxy-, «delta»-lactone
• Tetrahydropyran-2-one
• Valeric acid, «delta»-hydroxy-, «delta»-lactone
• oxan-2-one
• tetrahydro-2-pyranone
• tetrahydro-2H-pyran-2-one
• valeric acid, .delta.-hydroxy-, lactone
• «delta»-Pentalactone
• «delta»-Valerolactone
• «delta»-Valeryllactone

• 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).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• I_p : 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°liquid	-2673.30 ± 0.50	kJ/mol	NIST
ΔfH°gas	[-379.60; -376.00]	kJ/mol
ΔfH°gas	-376.00 ± 3.00	kJ/mol	NIST
ΔfH°gas	-379.60 ± 0.90	kJ/mol	NIST
ΔfH°liquid	[-437.60; -436.00]	kJ/mol
ΔfH°liquid	-436.00 ± 3.00	kJ/mol	NIST
ΔfH°liquid	-437.60 ± 0.80	kJ/mol	NIST
ΔfusH°	8.04	kJ/mol	Joback Calculated Property
ΔvapH°	[58.00; 60.20]	kJ/mol
ΔvapH°	58.20 ± 0.30	kJ/mol	NIST
ΔvapH°	60.00 ± 1.00	kJ/mol	NIST
ΔvapH°	60.00	kJ/mol	NIST
ΔvapH°	60.20 ± 1.30	kJ/mol	NIST
ΔvapH°	58.00 ± 0.40	kJ/mol	NIST
ΔvapH°	58.00	kJ/mol	NIST
ΔvapH°	58.00 ± 0.40	kJ/mol	NIST
IE	9.99	eV	Relay (1.0) Calculated Property
logPoct/wat	0.714		Crippen Calculated Property
McVol	77.890	ml/mol	McGowan Calculated Property
Pc	4414.96	kPa	Joback Calculated Property
Inp	[954.00; 1010.00]
Inp	1010.00		NIST
Inp	954.00		NIST
Inp	961.00		NIST
Inp	965.00		NIST
Inp	991.00		NIST
Inp	991.00		NIST
Inp	991.00		NIST
Inp	961.00		NIST
Ip	[1730.00; 1786.00]
Ip	1780.00		NIST
Ip	1784.00		NIST
Ip	1785.00		NIST
Ip	1786.00		NIST
Ip	Outlier 1730.00		NIST
Ip	1786.00		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
Tboil	492.20	K	NIST
Tc	717.22	K	Relay (1.0) Calculated Property
Tfus	[260.15; 262.80]	K
Tfus	260.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	262.80 ± 0.60	K	NIST
Ttriple	[262.82; 262.82]	K
Ttriple	262.82 ± 0.02	K	NIST
Ttriple	262.82 ± 0.02	K	NIST
Ttriple	262.82 ± 0.02	K	NIST
Ttriple	262.82 ± 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,liquid	[171.60; 171.60]	J/mol×K	[298.15; 298.15]
Cp,liquid	171.60	J/mol×K	298.15	NIST
Cp,liquid	171.60	J/mol×K	298.15	NIST
Cp,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
ΔfusH	10.53	kJ/mol	263.00	NIST
ΔvapH	[48.60; 52.40]	kJ/mol	[387.50; 410.50]
ΔvapH	48.60	kJ/mol	387.50	NIST
ΔvapH	52.40 ± 0.20	kJ/mol	410.50	NIST
Pvap	[2.83e-03; 0.51]	kPa	[278.40; 353.20]
Pvap	2.83e-03	kPa	278.40	Vapour pressures and enthalpies of vaporization of a series of d-lactones
Pvap	4.19e-03	kPa	283.20	Vapour pressures and enthalpies of vaporization of a series of d-lactones
Pvap	4.03e-03	kPa	283.20	Vapour pressures and enthalpies of vaporization of a series of d-lactones
Pvap	4.41e-03	kPa	283.30	Vapour pressures and enthalpies of vaporization of a series of d-lactones
Pvap	6.85e-03	kPa	288.20	Vapour pressures and enthalpies of vaporization of a series of d-lactones
Pvap	6.80e-03	kPa	288.30	Vapour pressures and enthalpies of vaporization of a series of d-lactones
Pvap	6.56e-03	kPa	288.30	Vapour pressures and enthalpies of vaporization of a series of d-lactones
Pvap	6.54e-03	kPa	288.30	Vapour pressures and enthalpies of vaporization of a series of d-lactones
Pvap	7.83e-03	kPa	290.30	Vapour pressures and enthalpies of vaporization of a series of d-lactones
Pvap	9.87e-03	kPa	293.10	Vapour pressures and enthalpies of vaporization of a series of d-lactones
Pvap	0.01	kPa	293.30	Vapour pressures and enthalpies of vaporization of a series of d-lactones
Pvap	0.01	kPa	294.20	Vapour pressures and enthalpies of vaporization of a series of d-lactones
Pvap	0.01	kPa	297.90	Vapour pressures and enthalpies of vaporization of a series of d-lactones
Pvap	0.02	kPa	298.20	Vapour pressures and enthalpies of vaporization of a series of d-lactones
Pvap	0.02	kPa	299.20	Vapour pressures and enthalpies of vaporization of a series of d-lactones
Pvap	0.02	kPa	303.10	Vapour pressures and enthalpies of vaporization of a series of d-lactones
Pvap	0.02	kPa	303.20	Vapour pressures and enthalpies of vaporization of a series of d-lactones
Pvap	0.02	kPa	304.30	Vapour pressures and enthalpies of vaporization of a series of d-lactones
Pvap	0.03	kPa	307.10	Vapour pressures and enthalpies of vaporization of a series of d-lactones
Pvap	0.03	kPa	307.10	Vapour pressures and enthalpies of vaporization of a series of d-lactones
Pvap	0.03	kPa	308.10	Vapour pressures and enthalpies of vaporization of a series of d-lactones
Pvap	0.04	kPa	309.30	Vapour pressures and enthalpies of vaporization of a series of d-lactones
Pvap	0.05	kPa	313.10	Vapour pressures and enthalpies of vaporization of a series of d-lactones
Pvap	0.05	kPa	313.10	Vapour pressures and enthalpies of vaporization of a series of d-lactones
Pvap	0.05	kPa	313.20	Vapour pressures and enthalpies of vaporization of a series of d-lactones
Pvap	0.05	kPa	313.20	Vapour pressures and enthalpies of vaporization of a series of d-lactones
Pvap	0.05	kPa	313.20	Vapour pressures and enthalpies of vaporization of a series of d-lactones
Pvap	0.06	kPa	318.10	Vapour pressures and enthalpies of vaporization of a series of d-lactones
Pvap	0.06	kPa	318.10	Vapour pressures and enthalpies of vaporization of a series of d-lactones
Pvap	0.07	kPa	318.10	Vapour pressures and enthalpies of vaporization of a series of d-lactones
Pvap	0.10	kPa	323.10	Vapour pressures and enthalpies of vaporization of a series of d-lactones
Pvap	0.09	kPa	323.20	Vapour pressures and enthalpies of vaporization of a series of d-lactones
Pvap	0.09	kPa	323.20	Vapour pressures and enthalpies of vaporization of a series of d-lactones
Pvap	0.12	kPa	328.10	Vapour pressures and enthalpies of vaporization of a series of d-lactones
Pvap	0.14	kPa	328.30	Vapour pressures and enthalpies of vaporization of a series of d-lactones
Pvap	0.12	kPa	328.40	Vapour pressures and enthalpies of vaporization of a series of d-lactones
Pvap	0.16	kPa	333.00	Vapour pressures and enthalpies of vaporization of a series of d-lactones
Pvap	0.18	kPa	333.20	Vapour pressures and enthalpies of vaporization of a series of d-lactones
Pvap	0.18	kPa	333.20	Vapour pressures and enthalpies of vaporization of a series of d-lactones
Pvap	0.23	kPa	338.10	Vapour pressures and enthalpies of vaporization of a series of d-lactones
Pvap	0.22	kPa	338.20	Vapour pressures and enthalpies of vaporization of a series of d-lactones
Pvap	0.24	kPa	338.20	Vapour pressures and enthalpies of vaporization of a series of d-lactones
Pvap	0.32	kPa	343.10	Vapour pressures and enthalpies of vaporization of a series of d-lactones
Pvap	0.30	kPa	343.20	Vapour pressures and enthalpies of vaporization of a series of d-lactones
Pvap	0.30	kPa	343.20	Vapour pressures and enthalpies of vaporization of a series of d-lactones
Pvap	0.41	kPa	348.20	Vapour pressures and enthalpies of vaporization of a series of d-lactones
Pvap	0.44	kPa	349.20	Vapour pressures and enthalpies of vaporization of a series of d-lactones
Pvap	0.46	kPa	350.20	Vapour pressures and enthalpies of vaporization of a series of d-lactones
Pvap	0.46	kPa	351.10	Vapour pressures and enthalpies of vaporization of a series of d-lactones
Pvap	0.49	kPa	352.10	Vapour pressures and enthalpies of vaporization of a series of d-lactones
Pvap	0.51	kPa	353.20	Vapour pressures and enthalpies of vaporization of a series of d-lactones
csound,fluid	[1481.50; 1587.22]	m/s	[293.15; 323.15]
csound,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
csound,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
csound,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
csound,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
csound,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
csound,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
csound,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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[97.29; 260.25]	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			-3.75500e+01
Coefficient B			5.91800e-01
Coefficient C			-3.82800e-04
Coefficient D			8.88000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	97.29	J/mol×K	273.00	Calculated Property
Cp,gas	127.84	J/mol×K	353.78	Calculated Property
Cp,gas	154.62	J/mol×K	434.56	Calculated Property
Cp,gas	177.92	J/mol×K	515.33	Calculated Property
Cp,gas	198.01	J/mol×K	596.11	Calculated Property
Cp,gas	215.18	J/mol×K	676.89	Calculated Property
Cp,gas	229.71	J/mol×K	757.67	Calculated Property
Cp,gas	241.88	J/mol×K	838.44	Calculated Property
Cp,gas	251.96	J/mol×K	919.22	Calculated Property
Cp,gas	260.25	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.58]	kPa	[358.92; 408.48]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
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
Pvap	1.33	kPa	358.92	Calculated Property
Pvap	2.52	kPa	364.43	Calculated Property
Pvap	4.67	kPa	369.93	Calculated Property
Pvap	8.46	kPa	375.44	Calculated Property
Pvap	15.03	kPa	380.95	Calculated Property
Pvap	26.18	kPa	386.45	Calculated Property
Pvap	44.77	kPa	391.96	Calculated Property
Pvap	75.27	kPa	397.47	Calculated Property
Pvap	124.46	kPa	402.97	Calculated Property
Pvap	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

• 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).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Vapour pressures and enthalpies of vaporization of a series of d-lactones
• Volumetric and transport properties of binary liquid mixtures of N-methylacetamide with lactones at temperatures (303.15 to 318.15) K
• A comparative study on the interactions of [bmim][NTf2] ionic liquid with selected four- to seven-membered-ring lactones
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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