Chemical Properties of Argentilactone (CAS 64543-31-3)

InChI

InChI=1S/C12H18O2/c1-2-3-4-5-6-8-11-9-7-10-12(13)14-11/h6-8,10-11H,2-5,9H2,1H3/b8-6-

InChI Key

DSPGZXFLJQTNDA-VURMDHGXSA-N

Formula

C12H18O2

SMILES

CCCCCC=CC1CC=CC(=O)O1

Molecular Weight¹

194.27

CAS

64543-31-3

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion 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_p : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	28.66	kJ/mol	Joback Calculated Property
logPoct/wat	2.995		Crippen Calculated Property
McVol	167.920	ml/mol	McGowan Calculated Property
Inp	1666.00		NIST
Ip	[2515.00; 2515.00]
Ip	2515.00		NIST
Ip	2515.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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	[227.57; 566.16]	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			-4.43760e+01
Coefficient B			1.19432e+00
Coefficient C			-7.79280e-04
Coefficient D			1.95500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	227.57	J/mol×K	273.00	Calculated Property
Cp,gas	289.27	J/mol×K	353.78	Calculated Property
Cp,gas	343.51	J/mol×K	434.56	Calculated Property
Cp,gas	390.90	J/mol×K	515.33	Calculated Property
Cp,gas	432.07	J/mol×K	596.11	Calculated Property
Cp,gas	467.63	J/mol×K	676.89	Calculated Property
Cp,gas	498.20	J/mol×K	757.67	Calculated Property
Cp,gas	524.40	J/mol×K	838.44	Calculated Property
Cp,gas	546.85	J/mol×K	919.22	Calculated Property
Cp,gas	566.16	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0031096; 0.0002938]	Pa×s	[277.43; 518.39]	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			-1.08487e+01
Coefficient B			1.40809e+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.			277.43
Temperature range, max.			518.39
η	0.0031096	Pa×s	277.43	Calculated Property
η	0.0019893	Pa×s	304.20	Calculated Property
η	0.0013680	Pa×s	330.98	Calculated Property
η	0.0009950	Pa×s	357.75	Calculated Property
η	0.0007565	Pa×s	384.52	Calculated Property
η	0.0005960	Pa×s	411.30	Calculated Property
η	0.0004835	Pa×s	438.07	Calculated Property
η	0.0004018	Pa×s	464.85	Calculated Property
η	0.0003407	Pa×s	491.62	Calculated Property
η	0.0002938	Pa×s	518.39	Calculated Property

Similar Compounds

Find more compounds similar to Argentilactone.

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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