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 : 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.

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Physical Properties

Property	Value	Unit	Source
Δ_cH°_liquid	-2673.30 ± 0.50	kJ/mol	NIST
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°	8.04	kJ/mol	Joback Calculated Property
Δ_vapH°	[58.00; 60.20]	kJ/mol
Δ_vapH°	58.20 ± 0.30	kJ/mol	NIST
Δ_vapH°	60.00 ± 1.00	kJ/mol	NIST
Δ_vapH°	60.00	kJ/mol	NIST
Δ_vapH°	60.20 ± 1.30	kJ/mol	NIST
Δ_vapH°	58.00 ± 0.40	kJ/mol	NIST
Δ_vapH°	58.00	kJ/mol	NIST
Δ_vapH°	58.00 ± 0.40	kJ/mol	NIST
IE	9.99	eV	Relay (1.0) Calculated Property
logP_oct/wat	0.714		Crippen Calculated Property
McVol	77.890	ml/mol	McGowan Calculated Property
P_c	4414.96	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	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	Outlier 1730.00		NIST
I	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
T_boil	492.20	K	NIST
T_c	717.22	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
T_triple	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
C_p,gas	[139.59; 195.81]	J/mol×K	[387.90; 586.61]

C_p,gas	139.59	J/mol×K	387.90	Joback Calculated Property
C_p,gas	150.38	J/mol×K	421.02	Joback Calculated Property
C_p,gas	160.58	J/mol×K	454.14	Joback Calculated Property
C_p,gas	170.20	J/mol×K	487.26	Joback Calculated Property
C_p,gas	179.26	J/mol×K	520.37	Joback Calculated Property
C_p,gas	187.79	J/mol×K	553.49	Joback Calculated Property
C_p,gas	195.81	J/mol×K	586.61	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)