Chemical Properties of «gamma»-Calacorene

InChI

InChI=1S/C15H20/c1-10(2)13-8-6-12(4)15-9-11(3)5-7-14(13)15/h5,7-10,12H,6H2,1-4H3/t12-/m0/s1

InChI Key

PPWINGJQVUMXLG-LBPRGKRZSA-N

Formula

C15H20

SMILES

Cc1ccc2c(c1)C(C)CC=C2C(C)C

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

Physical Properties

Property	Value	Unit	Source
ΔfusH°	21.21	kJ/mol	Joback Calculated Property
logPoct/wat	4.542		Crippen Calculated Property
McVol	183.290	ml/mol	McGowan Calculated Property
I	[1984.00; 1984.00]
I	1984.00		NIST
I	1984.00		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	[238.96; 616.30]	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			-5.10200e+01
Coefficient B			1.26268e+00
Coefficient C			-7.86560e-04
Coefficient D			1.91200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	238.96	J/mol×K	273.00	Calculated Property
Cp,gas	305.71	J/mol×K	353.78	Calculated Property
Cp,gas	364.84	J/mol×K	434.56	Calculated Property
Cp,gas	416.96	J/mol×K	515.33	Calculated Property
Cp,gas	462.68	J/mol×K	596.11	Calculated Property
Cp,gas	502.59	J/mol×K	676.89	Calculated Property
Cp,gas	537.30	J/mol×K	757.67	Calculated Property
Cp,gas	567.42	J/mol×K	838.44	Calculated Property
Cp,gas	593.55	J/mol×K	919.22	Calculated Property
Cp,gas	616.30	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0015769; 0.0002966]	Pa×s	[322.97; 571.06]	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			-1.02981e+01
Coefficient B			1.24207e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			322.97
Temperature range, max.			571.06
η	0.0015769	Pa×s	322.97	Calculated Property
η	0.0011654	Pa×s	350.54	Calculated Property
η	0.0009001	Pa×s	378.10	Calculated Property
η	0.0007200	Pa×s	405.67	Calculated Property
η	0.0005925	Pa×s	433.23	Calculated Property
η	0.0004992	Pa×s	460.80	Calculated Property
η	0.0004287	Pa×s	488.37	Calculated Property
η	0.0003742	Pa×s	515.93	Calculated Property
η	0.0003312	Pa×s	543.50	Calculated Property
η	0.0002966	Pa×s	571.06	Calculated Property

Similar Compounds

Find more compounds similar to «gamma»-Calacorene.

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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