Chemical Properties of isocalamenene (CAS 68566-70-1)

InChI

InChI=1S/C15H22/c1-10(2)13-8-6-12(4)15-9-11(3)5-7-14(13)15/h5,7,9-10,12-13H,6,8H2,1-4H3

InChI Key

KGABPASYGKWRFR-UHFFFAOYSA-N

Formula

C15H22

SMILES

Cc1ccc2c(c1)C(C)CCC2C(C)C

Molecular Weight¹

202.34

CAS

68566-70-1

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

Physical Properties

Property	Value	Unit	Source
ΔfusH°	21.45	kJ/mol	Joback Calculated Property
IE	7.95	eV	Relay (1.0) Calculated Property
logPoct/wat	4.632		Crippen Calculated Property
McVol	187.590	ml/mol	McGowan Calculated Property
Inp	[1517.00; 1524.00]
Inp	1517.00		NIST
Inp	1524.00		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, 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	[245.15; 657.30]	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			-6.71600e+01
Coefficient B			1.35168e+00
Coefficient C			-8.10920e-04
Coefficient D			1.83700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	245.15	J/mol×K	273.00	Calculated Property
Cp,gas	317.67	J/mol×K	353.78	Calculated Property
Cp,gas	382.16	J/mol×K	434.56	Calculated Property
Cp,gas	439.19	J/mol×K	515.33	Calculated Property
Cp,gas	489.34	J/mol×K	596.11	Calculated Property
Cp,gas	533.20	J/mol×K	676.89	Calculated Property
Cp,gas	571.35	J/mol×K	757.67	Calculated Property
Cp,gas	604.36	J/mol×K	838.44	Calculated Property
Cp,gas	632.81	J/mol×K	919.22	Calculated Property
Cp,gas	657.30	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0018212; 0.0003299]	Pa×s	[305.45; 562.73]	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			-1.00450e+01
Coefficient B			1.14140e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			305.45
Temperature range, max.			562.73
η	0.0018212	Pa×s	305.45	Calculated Property
η	0.0013227	Pa×s	334.04	Calculated Property
η	0.0010104	Pa×s	362.62	Calculated Property
η	0.0008028	Pa×s	391.21	Calculated Property
η	0.0006581	Pa×s	419.80	Calculated Property
η	0.0005534	Pa×s	448.39	Calculated Property
η	0.0004751	Pa×s	476.97	Calculated Property
η	0.0004150	Pa×s	505.56	Calculated Property
η	0.0003677	Pa×s	534.15	Calculated Property
η	0.0003299	Pa×s	562.73	Calculated Property

Similar Compounds

Find more compounds similar to isocalamenene.

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.
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