Chemical Properties of Cadinane

InChI

InChI=1S/C15H28/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h10-15H,5-9H2,1-4H3/t11?,12?,13-,14-,15-/m1/s1

InChI Key

FZZNNPQZDRVKLU-HGSUQPQSSA-N

Formula

C15H28

SMILES

CC1CC[C@@H]2C(C)CC[C@H](C(C)C)[C@H]2C1

Molecular Weight¹

208.39

• 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).
• Δ_vapH° : Enthalpy of vaporization 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.
• I_p : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	22.17	kJ/mol	Joback Calculated Property
ΔvapH°	63.85	kJ/mol	Relay (1.0) Calculated Property
IE	9.11	eV	Relay (1.0) Calculated Property
logPoct/wat	4.741		Crippen Calculated Property
McVol	200.490	ml/mol	McGowan Calculated Property
Inp	[1478.00; 1503.00]
Inp	1483.00		NIST
Inp	1478.00		NIST
Inp	1503.00		NIST
Inp	1494.00		NIST
Ip	[1597.00; 1618.00]
Ip	1618.00		NIST
Ip	1597.00		NIST
Ip	1618.00		NIST
Tboil	526.21	K	Relay (1.0) Calculated Property
Tc	771.45	K	Relay (1.0) Calculated Property
Tfus	246.33	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Pressure, Critical Volume, Enthalpy of formation 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	[263.72; 780.30]	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			-1.15580e+02
Coefficient B			1.61868e+00
Coefficient C			-8.84000e-04
Coefficient D			1.61200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	263.72	J/mol×K	273.00	Calculated Property
Cp,gas	353.57	J/mol×K	353.78	Calculated Property
Cp,gas	434.12	J/mol×K	434.56	Calculated Property
Cp,gas	505.88	J/mol×K	515.33	Calculated Property
Cp,gas	569.35	J/mol×K	596.11	Calculated Property
Cp,gas	625.05	J/mol×K	676.89	Calculated Property
Cp,gas	673.49	J/mol×K	757.67	Calculated Property
Cp,gas	715.16	J/mol×K	838.44	Calculated Property
Cp,gas	750.60	J/mol×K	919.22	Calculated Property
Cp,gas	780.30	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0025609; 0.0004414]	Pa×s	[252.89; 537.72]	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			-9.28659e+00
Coefficient B			8.39390e+02
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.			252.89
Temperature range, max.			537.72
η	0.0025609	Pa×s	252.89	Calculated Property
η	0.0017703	Pa×s	284.54	Calculated Property
η	0.0013177	Pa×s	316.19	Calculated Property
η	0.0010350	Pa×s	347.83	Calculated Property
η	0.0008463	Pa×s	379.48	Calculated Property
η	0.0007138	Pa×s	411.13	Calculated Property
η	0.0006169	Pa×s	442.78	Calculated Property
η	0.0005436	Pa×s	474.42	Calculated Property
η	0.0004867	Pa×s	506.07	Calculated Property
η	0.0004414	Pa×s	537.72	Calculated Property

Similar Compounds

Find more compounds similar to Cadinane.

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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