Chemical Properties of «delta»-Calacorene

InChI

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

InChI Key

LCROQSRTEMTLQQ-STQMWFEESA-N

Formula

C15H20

SMILES

Cc1ccc2c(c1)C(C(C)C)C=CC2C

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

Physical Properties

Property	Value	Unit	Source
ΔfusH°	22.67	kJ/mol	Joback Calculated Property
logPoct/wat	4.408		Crippen Calculated Property
McVol	183.290	ml/mol	McGowan Calculated Property
Inp	[1544.00; 1544.00]
Inp	1544.00		NIST
Inp	1544.00		NIST
I	1960.00		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	[238.67; 626.00]	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			-5.93800e+01
Coefficient B			1.29568e+00
Coefficient C			-7.98200e-04
Coefficient D			1.87900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	238.67	J/mol×K	273.00	Calculated Property
Cp,gas	307.42	J/mol×K	353.78	Calculated Property
Cp,gas	368.35	J/mol×K	434.56	Calculated Property
Cp,gas	422.07	J/mol×K	515.33	Calculated Property
Cp,gas	469.15	J/mol×K	596.11	Calculated Property
Cp,gas	510.21	J/mol×K	676.89	Calculated Property
Cp,gas	545.83	J/mol×K	757.67	Calculated Property
Cp,gas	576.60	J/mol×K	838.44	Calculated Property
Cp,gas	603.13	J/mol×K	919.22	Calculated Property
Cp,gas	626.00	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0015832; 0.0003329]	Pa×s	[306.21; 563.60]	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			-9.86306e+00
Coefficient B			1.04564e+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.			306.21
Temperature range, max.			563.60
η	0.0015832	Pa×s	306.21	Calculated Property
η	0.0011827	Pa×s	334.81	Calculated Property
η	0.0009250	Pa×s	363.41	Calculated Property
η	0.0007498	Pa×s	392.01	Calculated Property
η	0.0006255	Pa×s	420.60	Calculated Property
η	0.0005339	Pa×s	449.20	Calculated Property
η	0.0004645	Pa×s	477.80	Calculated Property
η	0.0004105	Pa×s	506.40	Calculated Property
η	0.0003676	Pa×s	535.00	Calculated Property
η	0.0003329	Pa×s	563.60	Calculated Property

Similar Compounds

Find more compounds similar to «delta»-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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