Chemical Properties of Dehydrochamazulene (CAS 321732-25-6)

InChI

InChI=1S/C14H14/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h4-9H,1H2,2-3H3

InChI Key

RDXQLYFNEFLBQI-UHFFFAOYSA-N

Formula

C14H14

SMILES

C=Cc1ccc(C)c2ccc(C)c-2c1

Molecular Weight¹

182.26

CAS

321732-25-6

• ω : Acentric Factor.
• 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-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

Cheméo can also estimate Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, 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	[202.06; 494.66]	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			-3.52800e+01
Coefficient B			1.05274e+00
Coefficient C			-7.27500e-04
Coefficient D			2.04700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	202.06	J/mol×K	273.00	Calculated Property
Cp,gas	255.17	J/mol×K	353.78	Calculated Property
Cp,gas	301.61	J/mol×K	434.56	Calculated Property
Cp,gas	342.05	J/mol×K	515.33	Calculated Property
Cp,gas	377.12	J/mol×K	596.11	Calculated Property
Cp,gas	407.47	J/mol×K	676.89	Calculated Property
Cp,gas	433.75	J/mol×K	757.67	Calculated Property
Cp,gas	456.61	J/mol×K	838.44	Calculated Property
Cp,gas	476.70	J/mol×K	919.22	Calculated Property
Cp,gas	494.66	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010914; 0.0002929]	Pa×s	[342.46; 564.35]	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			-1.01655e+01
Coefficient B			1.14560e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			342.46
Temperature range, max.			564.35
η	0.0010914	Pa×s	342.46	Calculated Property
η	0.0008718	Pa×s	367.11	Calculated Property
η	0.0007163	Pa×s	391.77	Calculated Property
η	0.0006025	Pa×s	416.42	Calculated Property
η	0.0005166	Pa×s	441.08	Calculated Property
η	0.0004502	Pa×s	465.73	Calculated Property
η	0.0003979	Pa×s	490.39	Calculated Property
η	0.0003558	Pa×s	515.04	Calculated Property
η	0.0003214	Pa×s	539.70	Calculated Property
η	0.0002929	Pa×s	564.35	Calculated Property

Similar Compounds

Find more compounds similar to Dehydrochamazulene.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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