Chemical Properties of 2H-Pyran-2-one, tetrahydro-6-pentyl- (CAS 705-86-2)

InChI

InChI=1S/C10H18O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h9H,2-8H2,1H3

InChI Key

GHBSPIPJMLAMEP-UHFFFAOYSA-N

Formula

C10H18O2

SMILES

CCCCCC1CCCC(=O)O1

Molecular Weight¹

170.25

CAS

705-86-2

Other Names

• 5-Decanolide
• 5-Hydroxy decanoic acid, lactone
• 5-Hydroxydecanoic acid «delta»-lactone
• 5-Hydroxydecanoic lactone
• 5-Pentyl-5-pentanolide
• 5-decanolide («delta»-decalactone)
• <«delta»>-decalactone
• AI3-36028
• Amyl-«delta»-valerolactone
• Decanoic acid, 5-hydroxy-, «delta»-lactone
• Decanolide-1,5
• decan-5-olide
• tetrahydro-6-pentyl-2H-pyran-2-one
• «delta»-Amylvalerolactone
• «delta»-Decalactone
• «delta»-Decanolactone
• «delta»-Decanolide

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-513.61	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.98	kJ/mol	Joback Calculated Property
ΔvapH°	[63.00; 74.20]	kJ/mol
ΔvapH°	74.20 ± 0.30	kJ/mol	NIST
ΔvapH°	63.00 ± 1.50	kJ/mol	NIST
logPoct/wat	2.662		Crippen Calculated Property
McVol	148.340	ml/mol	McGowan Calculated Property
Inp	[1444.00; 1526.00]
Inp	Outlier 1444.00		NIST
Inp	Outlier 1447.00		NIST
Inp	Outlier 1445.00		NIST
Inp	Outlier 1447.00		NIST
Inp	1463.00		NIST
Inp	1510.00		NIST
Inp	1504.00		NIST
Inp	1487.00		NIST
Inp	1490.00		NIST
Inp	1510.00		NIST
Inp	1510.00		NIST
Inp	1494.00		NIST
Inp	1505.00		NIST
Inp	1474.00		NIST
Inp	1496.00		NIST
Inp	1481.00		NIST
Inp	1491.00		NIST
Inp	1494.00		NIST
Inp	1492.00		NIST
Inp	1492.00		NIST
Inp	1503.00		NIST
Inp	1490.00		NIST
Inp	1502.00		NIST
Inp	1510.00		NIST
Inp	1510.00		NIST
Inp	1510.00		NIST
Inp	1504.00		NIST
Inp	1507.00		NIST
Inp	1493.00		NIST
Inp	Outlier 1446.00		NIST
Inp	1499.00		NIST
Inp	1505.70		NIST
Inp	1504.00		NIST
Inp	1494.00		NIST
Inp	1500.00		NIST
Inp	1494.00		NIST
Inp	1493.00		NIST
Inp	1493.00		NIST
Inp	1502.00		NIST
Inp	1500.00		NIST
Inp	1495.00		NIST
Inp	1509.00		NIST
Inp	1469.00		NIST
Inp	1491.00		NIST
Inp	1519.00		NIST
Inp	1471.00		NIST
Inp	1491.00		NIST
Inp	1493.00		NIST
Inp	1490.00		NIST
Inp	1505.00		NIST
Inp	1494.00		NIST
Inp	1501.00		NIST
Inp	1507.00		NIST
Inp	1455.00		NIST
Inp	1463.00		NIST
Inp	Outlier 1447.00		NIST
Inp	1496.00		NIST
Inp	1456.00		NIST
Inp	1505.00		NIST
Inp	1507.00		NIST
Inp	1493.00		NIST
Inp	1456.00		NIST
Inp	1506.00		NIST
Inp	1497.00		NIST
Inp	1490.00		NIST
Inp	1492.00		NIST
Inp	1493.00		NIST
Inp	1494.00		NIST
Inp	1494.00		NIST
Inp	1495.00		NIST
Inp	1496.00		NIST
Inp	1500.00		NIST
Inp	1497.00		NIST
Inp	1452.00		NIST
Inp	1452.00		NIST
Inp	1463.00		NIST
Inp	1465.00		NIST
Inp	1524.00		NIST
Inp	1469.00		NIST
Inp	1514.00		NIST
Inp	1526.00		NIST
I	[2144.00; 2243.00]
I	Outlier 2144.00		NIST
I	2153.00		NIST
I	2192.00		NIST
I	2189.00		NIST
I	2190.00		NIST
I	2190.00		NIST
I	2225.00		NIST
I	2195.00		NIST
I	2201.00		NIST
I	2201.00		NIST
I	2204.00		NIST
I	2179.00		NIST
I	2179.00		NIST
I	2190.00		NIST
I	2220.00		NIST
I	2193.00		NIST
I	2194.00		NIST
I	2194.00		NIST
I	2184.00		NIST
I	2203.00		NIST
I	2216.00		NIST
I	2190.00		NIST
I	2173.00		NIST
I	2183.00		NIST
I	2229.00		NIST
I	2221.00		NIST
I	2210.00		NIST
I	2174.00		NIST
I	Outlier 2144.00		NIST
I	2184.00		NIST
I	2218.00		NIST
I	Outlier 2243.00		NIST
I	2200.00		NIST
I	2179.00		NIST
I	2194.00		NIST
I	2194.00		NIST
I	2151.00		NIST
I	2201.00		NIST
I	2193.00		NIST
I	2206.00		NIST
I	2209.00		NIST
I	2206.00		NIST
I	2220.00		NIST
I	2173.00		NIST
I	2221.00		NIST
I	2217.00		NIST
I	2215.00		NIST
I	2214.00		NIST
I	2196.00		NIST
I	2209.00		NIST
I	Outlier 2243.00		NIST
I	2215.00		NIST
I	2180.00		NIST
I	2160.00		NIST
I	2200.00		NIST
I	2180.00		NIST
I	2160.00		NIST
I	2179.00		NIST
I	2163.00		NIST
I	2195.00		NIST
I	2178.00		NIST
I	2178.00		NIST
I	2176.00		NIST
I	2190.00		NIST
I	2196.00		NIST
I	2165.00		NIST
I	2186.00		NIST
I	Outlier 2144.00		NIST
I	2203.00		NIST
I	2178.00		NIST
I	2198.00		NIST
I	2208.00		NIST
I	2176.00		NIST
I	Outlier 2144.00		NIST
I	2184.00		NIST
I	2194.00		NIST
I	2192.00		NIST
I	2195.00		NIST
I	2179.00		NIST
I	2173.00		NIST
I	2174.00		NIST
I	2151.00		NIST
I	2206.00		NIST
I	2215.00		NIST
I	2160.00		NIST
I	2178.00		NIST
Tboil	567.41	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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,gas	[370.99; 467.14]	J/mol×K	[542.52; 754.33]
Cp,gas	370.99	J/mol×K	542.52	Joback Calculated Property
Cp,gas	389.20	J/mol×K	577.82	Joback Calculated Property
Cp,gas	406.54	J/mol×K	613.12	Joback Calculated Property
Cp,gas	423.01	J/mol×K	648.42	Joback Calculated Property
Cp,gas	438.59	J/mol×K	683.72	Joback Calculated Property
Cp,gas	453.30	J/mol×K	719.02	Joback Calculated Property
Cp,gas	467.14	J/mol×K	754.33	Joback Calculated Property
ΔvapH	[57.70; 75.50]	kJ/mol	[298.15; 376.00]
ΔvapH	75.50	kJ/mol	298.15	Vapor pressures and enthalpies of vaporization of a series of .gamma. and .delta.-lactones by correlation gas chromatography
ΔvapH	57.70 ± 0.80	kJ/mol	376.00	NIST
Pvap	[6.70e-04; 0.03]	kPa	[309.20; 358.20]
Pvap	6.70e-04	kPa	309.20	Vapour pressures and enthalpies of vaporization of a series of d-lactones
Pvap	9.60e-04	kPa	313.20	Vapour pressures and enthalpies of vaporization of a series of d-lactones
Pvap	1.23e-03	kPa	316.00	Vapour pressures and enthalpies of vaporization of a series of d-lactones
Pvap	1.50e-03	kPa	318.00	Vapour pressures and enthalpies of vaporization of a series of d-lactones
Pvap	1.81e-03	kPa	320.60	Vapour pressures and enthalpies of vaporization of a series of d-lactones
Pvap	2.07e-03	kPa	322.10	Vapour pressures and enthalpies of vaporization of a series of d-lactones
Pvap	2.26e-03	kPa	323.00	Vapour pressures and enthalpies of vaporization of a series of d-lactones
Pvap	2.57e-03	kPa	325.20	Vapour pressures and enthalpies of vaporization of a series of d-lactones
Pvap	3.38e-03	kPa	328.00	Vapour pressures and enthalpies of vaporization of a series of d-lactones
Pvap	3.90e-03	kPa	330.10	Vapour pressures and enthalpies of vaporization of a series of d-lactones
Pvap	4.92e-03	kPa	333.00	Vapour pressures and enthalpies of vaporization of a series of d-lactones
Pvap	5.98e-03	kPa	335.20	Vapour pressures and enthalpies of vaporization of a series of d-lactones
Pvap	7.21e-03	kPa	337.80	Vapour pressures and enthalpies of vaporization of a series of d-lactones
Pvap	8.54e-03	kPa	340.20	Vapour pressures and enthalpies of vaporization of a series of d-lactones
Pvap	0.01	kPa	343.10	Vapour pressures and enthalpies of vaporization of a series of d-lactones
Pvap	0.01	kPa	345.40	Vapour pressures and enthalpies of vaporization of a series of d-lactones
Pvap	0.01	kPa	348.00	Vapour pressures and enthalpies of vaporization of a series of d-lactones
Pvap	0.02	kPa	348.20	Vapour pressures and enthalpies of vaporization of a series of d-lactones
Pvap	0.02	kPa	350.50	Vapour pressures and enthalpies of vaporization of a series of d-lactones
Pvap	0.02	kPa	353.10	Vapour pressures and enthalpies of vaporization of a series of d-lactones
Pvap	0.02	kPa	353.20	Vapour pressures and enthalpies of vaporization of a series of d-lactones
Pvap	0.02	kPa	355.40	Vapour pressures and enthalpies of vaporization of a series of d-lactones
Pvap	0.03	kPa	358.20	Vapour pressures and enthalpies of vaporization of a series of d-lactones

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Vapour pressures and enthalpies of vaporization of a series of d-lactones
• Vapor pressures and enthalpies of vaporization of a series of .gamma. and .delta.-lactones by correlation gas chromatography
• Joback Method
• McGowan Method
• NIST Webbook

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.