Chemical Properties of Cnidilide (CAS 3674-03-1)

InChI

InChI=1S/C12H18O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h5,7,9-11H,2-4,6,8H2,1H3/t9-,10+,11-/m1/s1

InChI Key

UXDIXFDKSPCUIX-OUAUKWLOSA-N

Formula

C12H18O2

SMILES

CCCCC1OC(=O)C2C=CCCC12

Molecular Weight¹

194.27

CAS

3674-03-1

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

Physical Properties

Cheméo can also estimate 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, 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	[220.40; 583.14]	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			-7.44970e+01
Coefficient B			1.29872e+00
Coefficient C			-8.60280e-04
Coefficient D			2.19200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	220.40	J/mol×K	273.00	Calculated Property
Cp,gas	287.00	J/mol×K	353.78	Calculated Property
Cp,gas	345.40	J/mol×K	434.56	Calculated Property
Cp,gas	396.31	J/mol×K	515.33	Calculated Property
Cp,gas	440.42	J/mol×K	596.11	Calculated Property
Cp,gas	478.41	J/mol×K	676.89	Calculated Property
Cp,gas	510.99	J/mol×K	757.67	Calculated Property
Cp,gas	538.84	J/mol×K	838.44	Calculated Property
Cp,gas	562.66	J/mol×K	919.22	Calculated Property
Cp,gas	583.14	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0020183; 0.0007633]	Pa×s	[296.21; 520.56]	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			-8.46173e+00
Coefficient B			6.68320e+02
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.			296.21
Temperature range, max.			520.56
η	0.0020183	Pa×s	296.21	Calculated Property
η	0.0016941	Pa×s	321.14	Calculated Property
η	0.0014582	Pa×s	346.06	Calculated Property
η	0.0012808	Pa×s	370.99	Calculated Property
η	0.0011434	Pa×s	395.92	Calculated Property
η	0.0010346	Pa×s	420.85	Calculated Property
η	0.0009467	Pa×s	445.77	Calculated Property
η	0.0008745	Pa×s	470.70	Calculated Property
η	0.0008142	Pa×s	495.63	Calculated Property
η	0.0007633	Pa×s	520.56	Calculated Property

Similar Compounds

Find more compounds similar to Cnidilide.

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.