Chemical Properties of .gamma.-2-dodecenolactone

InChI

InChI=1S/C12H20O2/c1-2-3-4-5-6-7-8-11-9-10-12(13)14-11/h9-11H,2-8H2,1H3

InChI Key

BWXCHUAWFSHXMU-UHFFFAOYSA-N

Formula

C12H20O2

SMILES

CCCCCCCCC1C=CC(=O)O1

Molecular Weight¹

196.29

• 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).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-456.14	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	30.56	kJ/mol	Joback Calculated Property
ΔvapH°	84.89	kJ/mol	Relay (1.0) Calculated Property
IE	9.89	eV	Relay (1.0) Calculated Property
logPoct/wat	3.219		Crippen Calculated Property
McVol	172.220	ml/mol	McGowan Calculated Property
I	[2428.00; 2428.00]
I	2428.00		NIST
I	2428.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[246.47; 594.97]	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			-2.50730e+01
Coefficient B			1.18392e+00
Coefficient C			-7.41880e-04
Coefficient D			1.78000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	246.47	J/mol×K	273.00	Calculated Property
Cp,gas	308.80	J/mol×K	353.78	Calculated Property
Cp,gas	363.92	J/mol×K	434.56	Calculated Property
Cp,gas	412.38	J/mol×K	515.33	Calculated Property
Cp,gas	454.75	J/mol×K	596.11	Calculated Property
Cp,gas	491.60	J/mol×K	676.89	Calculated Property
Cp,gas	523.48	J/mol×K	757.67	Calculated Property
Cp,gas	550.96	J/mol×K	838.44	Calculated Property
Cp,gas	574.60	J/mol×K	919.22	Calculated Property
Cp,gas	594.97	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0027575; 0.0004396]	Pa×s	[286.03; 502.72]	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			-1.01534e+01
Coefficient B			1.21848e+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.			286.03
Temperature range, max.			502.72
η	0.0027575	Pa×s	286.03	Calculated Property
η	0.0019810	Pa×s	310.11	Calculated Property
η	0.0014926	Pa×s	334.18	Calculated Property
η	0.0011682	Pa×s	358.26	Calculated Property
η	0.0009430	Pa×s	382.34	Calculated Property
η	0.0007807	Pa×s	406.41	Calculated Property
η	0.0006602	Pa×s	430.49	Calculated Property
η	0.0005683	Pa×s	454.56	Calculated Property
η	0.0004966	Pa×s	478.64	Calculated Property
η	0.0004396	Pa×s	502.72	Calculated Property

Similar Compounds

Find more compounds similar to .gamma.-2-dodecenolactone.

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
• 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.
These property values are available through the Cheméo API. A free account gives you an access key.