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).
• η : Dynamic viscosity (Pa×s).
• 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_p : 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°	22.06	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
Ip	[2144.00; 2243.00]
Ip	2176.00		NIST
Ip	Outlier 2144.00		NIST
Ip	Outlier 2144.00		NIST
Ip	2153.00		NIST
Ip	2192.00		NIST
Ip	2189.00		NIST
Ip	2190.00		NIST
Ip	2225.00		NIST
Ip	2195.00		NIST
Ip	2201.00		NIST
Ip	2204.00		NIST
Ip	2179.00		NIST
Ip	2190.00		NIST
Ip	2220.00		NIST
Ip	2193.00		NIST
Ip	2194.00		NIST
Ip	2184.00		NIST
Ip	2203.00		NIST
Ip	2216.00		NIST
Ip	2190.00		NIST
Ip	2173.00		NIST
Ip	2183.00		NIST
Ip	2229.00		NIST
Ip	2221.00		NIST
Ip	2210.00		NIST
Ip	2174.00		NIST
Ip	Outlier 2144.00		NIST
Ip	2184.00		NIST
Ip	2218.00		NIST
Ip	Outlier 2243.00		NIST
Ip	2200.00		NIST
Ip	2179.00		NIST
Ip	2194.00		NIST
Ip	2151.00		NIST
Ip	2201.00		NIST
Ip	2193.00		NIST
Ip	2206.00		NIST
Ip	2209.00		NIST
Ip	2206.00		NIST
Ip	2220.00		NIST
Ip	2173.00		NIST
Ip	2221.00		NIST
Ip	2217.00		NIST
Ip	2215.00		NIST
Ip	2214.00		NIST
Ip	2196.00		NIST
Ip	2209.00		NIST
Ip	Outlier 2243.00		NIST
Ip	2215.00		NIST
Ip	2180.00		NIST
Ip	2160.00		NIST
Ip	2200.00		NIST
Ip	2180.00		NIST
Ip	2160.00		NIST
Ip	2179.00		NIST
Ip	2163.00		NIST
Ip	2195.00		NIST
Ip	2178.00		NIST
Ip	2176.00		NIST
Ip	2190.00		NIST
Ip	2196.00		NIST
Ip	2165.00		NIST
Ip	2186.00		NIST
Ip	Outlier 2144.00		NIST
Ip	2203.00		NIST
Ip	2178.00		NIST
Ip	2198.00		NIST
Ip	2208.00		NIST
Ip	2184.00		NIST
Ip	2194.00		NIST
Ip	2192.00		NIST
Ip	2195.00		NIST
Ip	2179.00		NIST
Ip	2173.00		NIST
Ip	2174.00		NIST
Ip	2151.00		NIST
Ip	2206.00		NIST
Ip	2215.00		NIST
Ip	2160.00		NIST
Ip	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
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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[205.62; 524.86]	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			-3.61560e+01
Coefficient B			1.04032e+00
Coefficient C			-5.99400e-04
Coefficient D			1.20100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	205.62	J/mol×K	273.00	Calculated Property
Cp,gas	262.18	J/mol×K	353.78	Calculated Property
Cp,gas	312.59	J/mol×K	434.56	Calculated Property
Cp,gas	357.21	J/mol×K	515.33	Calculated Property
Cp,gas	396.43	J/mol×K	596.11	Calculated Property
Cp,gas	430.64	J/mol×K	676.89	Calculated Property
Cp,gas	460.21	J/mol×K	757.67	Calculated Property
Cp,gas	485.51	J/mol×K	838.44	Calculated Property
Cp,gas	506.94	J/mol×K	919.22	Calculated Property
Cp,gas	524.86	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0039982; 0.0003707]	Pa×s	[259.21; 480.27]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.06887e+01
Coefficient B			1.33929e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			259.21
Temperature range, max.			480.27
η	0.0039982	Pa×s	259.21	Calculated Property
η	0.0025565	Pa×s	283.77	Calculated Property
η	0.0017553	Pa×s	308.33	Calculated Property
η	0.0012740	Pa×s	332.90	Calculated Property
η	0.0009663	Pa×s	357.46	Calculated Property
η	0.0007594	Pa×s	382.02	Calculated Property
η	0.0006145	Pa×s	406.58	Calculated Property
η	0.0005093	Pa×s	431.15	Calculated Property
η	0.0004308	Pa×s	455.71	Calculated Property
η	0.0003707	Pa×s	480.27	Calculated Property

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

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