2H-Pyran-2-one, tetrahydro-6-methyl- (CAS 823-22-3)

InChI

InChI=1S/C6H10O2/c1-5-3-2-4-6(7)8-5/h5H,2-4H2,1H3

InChI Key

RZTOWFMDBDPERY-UHFFFAOYSA-N

Formula

C6H10O2

SMILES

CC1CCCC(=O)O1

Molecular Weight¹

114.14

CAS

823-22-3

Other Names

.delta.-caprolactone
2H-Pyran-2-one, 6-methyl, tetrahydro
5-Hexanolide
5-Hydroxyhexanoic acid lactone
<«delta»>-Hexalactone
Hexanoic acid, 5-hydroxy-, lactone
Hexanoic acid, 5-hydroxy-, «delta»-lactone
delta-Hexalactone
tetrahydro-6-methyl-2H-pyran-2-one
«delta»-Caprolactone
«delta»-Hexalactone
«delta»-Hexanolactone
«delta»-Hexanolide
«delta»-Methyl-«delta»-valerolactone

ω : Acentric Factor.
C_p,gas : Ideal gas 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_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
Δ_vapH° : Enthalpy of vaporization at standard conditions (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).
ρ_l : Liquid Density (kg/m³).
I_np : Non-polar retention indices.
I : Polar retention indices.
T_boil : Normal Boiling Point Temperature (K).
T_c : Critical Temperature (K).
T_fus : Normal melting (fusion) point (K).
V_c : Critical Volume (m³/kmol).
¹: Molecular weight from the IUPAC atomic weights tables.

Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Please note that you need to enable javascript to get access to all the properties. Here is how to do it for Internet Explorer and for Firefox.

Physical Properties

Property	Value	Unit	Source
ω	0.3551		Relay (1.0) Calculated Property
Δ_fG°	-184.62	kJ/mol	Joback Calculated Property
Δ_fH°_gas	-435.57	kJ/mol	Relay (1.0) Calculated Property
Δ_fusH°	10.62	kJ/mol	Joback Calculated Property
Δ_vapH°	[58.10; 60.90]	kJ/mol
Δ_vapH°	58.10	kJ/mol	NIST
Δ_vapH°	60.90 ± 0.10	kJ/mol	NIST
IE	10.04	eV	Relay (1.0) Calculated Property
log₁₀WS	-0.62		Relay (1.0) Calculated Property
logP_oct/wat	1.102		Crippen Calculated Property
McVol	91.980	ml/mol	McGowan Calculated Property
P_c	4093.38	kPa	Joback Calculated Property
I_np	[1042.00; 1084.00]
I_np	1084.00		NIST
I_np	1084.00		NIST
I_np	1049.00		NIST
I_np	1042.00		NIST
I_np	1056.00		NIST
I_np	1084.00		NIST
I_np	1056.00		NIST
I	[1751.00; 1830.00]
I	1818.00		NIST
I	Outlier 1751.00		NIST
I	1770.00		NIST
I	1789.00		NIST
I	1787.00		NIST
I	1830.00		NIST
I	1798.00		NIST
I	1816.00		NIST
I	1772.00		NIST
I	1786.00		NIST
I	1792.00		NIST
I	1818.00		NIST
I	1792.00		NIST
I	1789.00		NIST
I	1772.00		NIST
I	1818.00		NIST
T_boil	498.82	K	Relay (1.0) Calculated Property
T_c	663.15	K	Relay (1.0) Calculated Property
T_fus	220.54	K	Relay (1.0) Calculated Property
V_c	0.332	m³/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
C_p,gas	[191.86; 267.01]	J/mol×K	[451.00; 676.91]

C_p,gas	191.86	J/mol×K	451.00	Joback Calculated Property
C_p,gas	205.87	J/mol×K	488.65	Joback Calculated Property
C_p,gas	219.30	J/mol×K	526.30	Joback Calculated Property
C_p,gas	232.15	J/mol×K	563.96	Joback Calculated Property
C_p,gas	244.40	J/mol×K	601.61	Joback Calculated Property
C_p,gas	256.02	J/mol×K	639.26	Joback Calculated Property
C_p,gas	267.01	J/mol×K	676.91	Joback Calculated Property
P_vap	[3.58e-03; 0.56]	kPa	[283.10; 353.10]

P_vap	5.00e-03	kPa	283.10	Vapour pressure data of e-caprolactone, d-hexalactone, and c-caprolactone
P_vap	3.80e-03	kPa	283.20	Vapour pressures and enthalpies of vaporization of a series of d-lactones
P_vap	3.58e-03	kPa	283.20	Vapour pressures and enthalpies of vaporization of a series of d-lactones
P_vap	4.49e-03	kPa	285.30	Vapour pressures and enthalpies of vaporization of a series of d-lactones
P_vap	5.52e-03	kPa	288.20	Vapour pressures and enthalpies of vaporization of a series of d-lactones
P_vap	5.81e-03	kPa	288.20	Vapour pressures and enthalpies of vaporization of a series of d-lactones
P_vap	5.57e-03	kPa	288.40	Vapour pressures and enthalpies of vaporization of a series of d-lactones
P_vap	8.61e-03	kPa	293.20	Vapour pressures and enthalpies of vaporization of a series of d-lactones
P_vap	0.01	kPa	293.20	Vapour pressure data of e-caprolactone, d-hexalactone, and c-caprolactone
P_vap	8.93e-03	kPa	293.30	Vapour pressures and enthalpies of vaporization of a series of d-lactones
P_vap	0.01	kPa	298.20	Vapour pressures and enthalpies of vaporization of a series of d-lactones
P_vap	0.01	kPa	298.20	Vapour pressures and enthalpies of vaporization of a series of d-lactones
P_vap	0.02	kPa	303.00	Vapour pressures and enthalpies of vaporization of a series of d-lactones
P_vap	0.03	kPa	303.10	Vapour pressure data of e-caprolactone, d-hexalactone, and c-caprolactone
P_vap	0.02	kPa	303.30	Vapour pressures and enthalpies of vaporization of a series of d-lactones
P_vap	0.03	kPa	308.20	Vapour pressures and enthalpies of vaporization of a series of d-lactones
P_vap	0.03	kPa	308.20	Vapour pressures and enthalpies of vaporization of a series of d-lactones
P_vap	0.05	kPa	313.10	Vapour pressure data of e-caprolactone, d-hexalactone, and c-caprolactone
P_vap	0.04	kPa	313.20	Vapour pressures and enthalpies of vaporization of a series of d-lactones
P_vap	0.04	kPa	313.30	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	0.09	kPa	323.20	Vapour pressures and enthalpies of vaporization of a series of d-lactones
P_vap	0.10	kPa	323.20	Vapour pressure data of e-caprolactone, d-hexalactone, and c-caprolactone
P_vap	0.12	kPa	328.20	Vapour pressures and enthalpies of vaporization of a series of d-lactones
P_vap	0.12	kPa	328.20	Vapour pressures and enthalpies of vaporization of a series of d-lactones
P_vap	0.19	kPa	333.10	Vapour pressure data of e-caprolactone, d-hexalactone, and c-caprolactone
P_vap	0.17	kPa	333.20	Vapour pressures and enthalpies of vaporization of a series of d-lactones
P_vap	0.19	kPa	335.20	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	0.23	kPa	338.30	Vapour pressures and enthalpies of vaporization of a series of d-lactones
P_vap	0.35	kPa	343.10	Vapour pressure data of e-caprolactone, d-hexalactone, and c-caprolactone
P_vap	0.31	kPa	343.20	Vapour pressures and enthalpies of vaporization of a series of d-lactones
P_vap	0.42	kPa	348.20	Vapour pressures and enthalpies of vaporization of a series of d-lactones
P_vap	0.42	kPa	348.20	Vapour pressures and enthalpies of vaporization of a series of d-lactones
P_vap	0.53	kPa	352.20	Vapour pressures and enthalpies of vaporization of a series of d-lactones
P_vap	0.56	kPa	353.10	Vapour pressures and enthalpies of vaporization of a series of d-lactones
ρ_l	[1023.51; 1053.81]	kg/m³	[288.15; 323.15]

ρ_l	1053.81	kg/m³	288.15	Thermal and Volumetric Properties of Five Lactones at Infinite Dilution in Water
ρ_l	1049.47	kg/m³	293.15	Thermal and Volumetric Properties of Five Lactones at Infinite Dilution in Water
ρ_l	1045.14	kg/m³	298.15	Thermal and Volumetric Properties of Five Lactones at Infinite Dilution in Water
ρ_l	1040.81	kg/m³	303.15	Thermal and Volumetric Properties of Five Lactones at Infinite Dilution in Water
ρ_l	1036.48	kg/m³	308.15	Thermal and Volumetric Properties of Five Lactones at Infinite Dilution in Water
ρ_l	1032.15	kg/m³	313.15	Thermal and Volumetric Properties of Five Lactones at Infinite Dilution in Water
ρ_l	1027.82	kg/m³	318.15	Thermal and Volumetric Properties of Five Lactones at Infinite Dilution in Water
ρ_l	1023.51	kg/m³	323.15	Thermal and Volumetric Properties of Five Lactones at Infinite Dilution in Water

Similar Compounds

Find more compounds similar to 2H-Pyran-2-one, tetrahydro-6-methyl-.

Mixtures

Sources

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.

Chemical Properties of 2H-Pyran-2-one, tetrahydro-6-methyl- (CAS 823-22-3)

Physical Properties

Temperature Dependent Properties

Similar Compounds

Mixtures

Sources