Chemical Properties of (R)-«gamma»-dodecalactone

InChI

InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-11-9-10-12(13)14-11/h11H,2-10H2,1H3/t11-/m1/s1

InChI Key

WGPCZPLRVAWXPW-LLVKDONJSA-N

Formula

C12H22O2

SMILES

CCCCCCCCC1CCC(=O)O1

Molecular Weight¹

198.30

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[252.94; 626.27]	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			-3.28530e+01
Coefficient B			1.23992e+00
Coefficient C			-7.54600e-04
Coefficient D			1.73800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	252.94	J/mol×K	273.00	Calculated Property
Cp,gas	319.05	J/mol×K	353.78	Calculated Property
Cp,gas	377.73	J/mol×K	434.56	Calculated Property
Cp,gas	429.51	J/mol×K	515.33	Calculated Property
Cp,gas	474.95	J/mol×K	596.11	Calculated Property
Cp,gas	514.60	J/mol×K	676.89	Calculated Property
Cp,gas	549.00	J/mol×K	757.67	Calculated Property
Cp,gas	578.72	J/mol×K	838.44	Calculated Property
Cp,gas	604.29	J/mol×K	919.22	Calculated Property
Cp,gas	626.27	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0032530; 0.0004445]	Pa×s	[285.27; 502.26]	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			-1.03352e+01
Coefficient B			1.31424e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			285.27
Temperature range, max.			502.26
η	0.0032530	Pa×s	285.27	Calculated Property
η	0.0022717	Pa×s	309.38	Calculated Property
η	0.0016710	Pa×s	333.49	Calculated Property
η	0.0012811	Pa×s	357.60	Calculated Property
η	0.0010157	Pa×s	381.71	Calculated Property
η	0.0008278	Pa×s	405.82	Calculated Property
η	0.0006903	Pa×s	429.93	Calculated Property
η	0.0005869	Pa×s	454.04	Calculated Property
η	0.0005072	Pa×s	478.15	Calculated Property
η	0.0004445	Pa×s	502.26	Calculated Property

Similar Compounds

Find more compounds similar to (R)-«gamma»-dodecalactone.

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.