Chemical Properties of Dihydrochamazulene 4

InChI

InChI=1S/C15H20/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h6,8-10H,5,7H2,1-4H3

InChI Key

HHROSHNZYCROCO-UHFFFAOYSA-N

Formula

C15H20

SMILES

CC1=C2C=C(C(C)C)CCC(C)=C2C=C1

Molecular Weight¹

200.32

• 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	19.75	kJ/mol	Joback Calculated Property
logPoct/wat	4.565		Crippen Calculated Property
McVol	183.290	ml/mol	McGowan Calculated Property
Inp	[1627.00; 1627.00]
Inp	1627.00		NIST
Inp	1627.00		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	[239.25; 606.60]	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			-4.26600e+01
Coefficient B			1.22968e+00
Coefficient C			-7.74920e-04
Coefficient D			1.94500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	239.25	J/mol×K	273.00	Calculated Property
Cp,gas	304.00	J/mol×K	353.78	Calculated Property
Cp,gas	361.33	J/mol×K	434.56	Calculated Property
Cp,gas	411.86	J/mol×K	515.33	Calculated Property
Cp,gas	456.20	J/mol×K	596.11	Calculated Property
Cp,gas	494.97	J/mol×K	676.89	Calculated Property
Cp,gas	528.77	J/mol×K	757.67	Calculated Property
Cp,gas	558.24	J/mol×K	838.44	Calculated Property
Cp,gas	583.98	J/mol×K	919.22	Calculated Property
Cp,gas	606.60	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0015052; 0.0002622]	Pa×s	[339.73; 578.51]	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			-1.07331e+01
Coefficient B			1.43850e+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.			339.73
Temperature range, max.			578.51
η	0.0015052	Pa×s	339.73	Calculated Property
η	0.0011076	Pa×s	366.26	Calculated Property
η	0.0008495	Pa×s	392.79	Calculated Property
η	0.0006738	Pa×s	419.32	Calculated Property
η	0.0005494	Pa×s	445.85	Calculated Property
η	0.0004584	Pa×s	472.38	Calculated Property
η	0.0003898	Pa×s	498.91	Calculated Property
η	0.0003370	Pa×s	525.45	Calculated Property
η	0.0002955	Pa×s	551.98	Calculated Property
η	0.0002622	Pa×s	578.51	Calculated Property

Similar Compounds

Find more compounds similar to Dihydrochamazulene 4.

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

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