Chemical Properties of «gamma»-Dodecalactone (CAS 2305-05-7)

InChI

InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-11-9-10-12(13)14-11/h11H,2-10H2,1H3

InChI Key

WGPCZPLRVAWXPW-UHFFFAOYSA-N

Formula

C12H22O2

SMILES

CCCCCCCCC1CCC(=O)O1

Molecular Weight¹

198.30

CAS

2305-05-7

Other Names

• (.+/-.)-4-n-Octylbutyrolactone
• .gamma.-dodecalactone
• .gamma.-dodecanolactone
• .gamma.-laurolactone
• .gamma.-octylbutyrolactone
• 2(3H)-Furanone, dihydro-5-octyl-
• 2-(3H)-Furanone, 5-octyldihydro-
• 4-Dodecanolide
• 4-Hydroxydodecanoic acid lactone
• 4-Hydroxydodecanoic acid, «gamma»-lactone
• 5-octyldihydro-2(3H)-furanone
• Dihydro-5-octyl-2(3H)-furanone
• Dodecan-4-olide
• Dodecanoic acid, 4-hydroxy-, «gamma»-lactone
• Dodecanolide-1,4
• NSC 26511
• dihydro-5-octylfuran-2(3H)-one
• «gamma»-Dodecanolactone
• «gamma»-Dodecanolide
• «gamma»-Octyl-«gamma»-butyrolactone
• «gamma»-n-Octyl-«gamma»-n-butyrolactone

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• 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.

Physical Properties

Property	Value	Unit	Source
ω	0.6349		Relay (1.0) Calculated Property
ΔfG°	-122.00	kJ/mol	Joback Calculated Property
ΔfH°gas	-542.38	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	28.26	kJ/mol	Joback Calculated Property
ΔvapH°	77.77	kJ/mol	Relay (1.0) Calculated Property
IE	9.84	eV	Relay (1.0) Calculated Property
log10WS	-4.06		Relay (1.0) Calculated Property
logPoct/wat	3.443		Crippen Calculated Property
McVol	176.520	ml/mol	McGowan Calculated Property
Pc	2135.43	kPa	Joback Calculated Property
Inp	[1627.30; 1720.00]
Inp	1633.00		NIST
Inp	1636.00		NIST
Inp	1631.00		NIST
Inp	1635.00		NIST
Inp	1632.00		NIST
Inp	1635.00		NIST
Inp	1630.00		NIST
Inp	1673.00		NIST
Inp	1671.00		NIST
Inp	1695.00		NIST
Inp	1680.00		NIST
Inp	1677.00		NIST
Inp	1699.00		NIST
Inp	1675.00		NIST
Inp	1668.00		NIST
Inp	1668.00		NIST
Inp	1663.00		NIST
Inp	1680.00		NIST
Inp	1627.30		NIST
Inp	1685.00		NIST
Inp	1653.00		NIST
Inp	1656.00		NIST
Inp	1640.00		NIST
Inp	1673.00		NIST
Inp	1656.00		NIST
Inp	Outlier 1720.00		NIST
Inp	1689.00		NIST
Inp	1677.00		NIST
Inp	1684.00		NIST
Inp	1684.00		NIST
Inp	1698.00		NIST
Inp	1647.00		NIST
Inp	1684.00		NIST
Inp	1681.00		NIST
Inp	1631.00		NIST
Inp	1635.00		NIST
Inp	1636.00		NIST
Inp	1682.00		NIST
Inp	1655.00		NIST
Inp	1691.00		NIST
Inp	1684.00		NIST
Inp	1678.00		NIST
Inp	1647.00		NIST
Inp	1682.00		NIST
Inp	1634.00		NIST
Inp	1663.00		NIST
Inp	1663.00		NIST
Inp	1645.00		NIST
Inp	1695.00		NIST
Inp	1668.00		NIST
Inp	1685.00		NIST
Inp	1656.00		NIST
Inp	1682.00		NIST
Inp	1647.00		NIST
Inp	1645.00		NIST
I	[2333.00; 2415.00]
I	2365.00		NIST
I	2345.00		NIST
I	2348.00		NIST
I	2372.00		NIST
I	Outlier 2415.00		NIST
I	2372.00		NIST
I	2381.00		NIST
I	2366.00		NIST
I	2366.00		NIST
I	2380.00		NIST
I	2367.00		NIST
I	2384.00		NIST
I	2357.00		NIST
I	2376.00		NIST
I	2399.00		NIST
I	2384.00		NIST
I	2353.00		NIST
I	2398.00		NIST
I	Outlier 2333.00		NIST
I	2397.00		NIST
I	2368.00		NIST
I	2409.00		NIST
I	2357.00		NIST
I	2370.00		NIST
I	2370.00		NIST
I	2384.00		NIST
I	2376.00		NIST
I	2376.00		NIST
I	2343.00		NIST
I	2396.00		NIST
I	2365.00		NIST
I	2371.00		NIST
I	2367.00		NIST
I	2395.00		NIST
I	2360.00		NIST
I	2411.00		NIST
I	2402.00		NIST
I	2399.00		NIST
I	2379.00		NIST
I	2354.00		NIST
I	2355.00		NIST
I	2395.00		NIST
I	2399.00		NIST
I	2396.00		NIST
I	Outlier 2333.00		NIST
I	2379.00		NIST
I	2369.00		NIST
I	2379.00		NIST
I	2384.00		NIST
I	2365.00		NIST
I	2411.00		NIST
I	2355.00		NIST
I	2372.00		NIST
I	2366.00		NIST
I	2376.00		NIST
I	Outlier 2333.00		NIST
I	2370.00		NIST
I	2395.00		NIST
I	2369.00		NIST
Tboil	588.84	K	Relay (1.0) Calculated Property
Tc	753.30	K	Relay (1.0) Calculated Property
Tfus	259.40	K	Relay (1.0) Calculated Property
Vc	0.677	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[469.94; 567.79]	J/mol×K	[584.01; 782.64]
Cp,gas	469.94	J/mol×K	584.01	Joback Calculated Property
Cp,gas	488.44	J/mol×K	617.11	Joback Calculated Property
Cp,gas	506.05	J/mol×K	650.22	Joback Calculated Property
Cp,gas	522.78	J/mol×K	683.32	Joback Calculated Property
Cp,gas	538.64	J/mol×K	716.43	Joback Calculated Property
Cp,gas	553.64	J/mol×K	749.53	Joback Calculated Property
Cp,gas	567.79	J/mol×K	782.64	Joback Calculated Property
ΔvapH	83.90	kJ/mol	298.15	Vapor pressures and enthalpies of vaporization of a series of .gamma. and .delta.-lactones by correlation gas chromatography

Similar Compounds

Find more compounds similar to «gamma»-Dodecalactone.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• 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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