Chemical Properties of chiloscyphene-6

InChI

InChI=1S/C15H26/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h8,10-12,14-15H,5-7,9H2,1-4H3

InChI Key

NIFDUICZRZQAPE-UHFFFAOYSA-N

Formula

C15H26

SMILES

CC1CCC2C(C)CC=C(C(C)C)C2C1

Molecular Weight¹

206.37

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

Physical Properties

Property	Value	Unit	Source
ΔfusH°	21.93	kJ/mol	Joback Calculated Property
logPoct/wat	4.661		Crippen Calculated Property
McVol	196.190	ml/mol	McGowan Calculated Property
Inp	[1479.50; 1479.50]
Inp	1479.50		NIST
Inp	1479.50		NIST
Ip	[1613.00; 1613.00]
Ip	1613.00		NIST
Ip	1613.00		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	[257.53; 739.30]	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			-9.94400e+01
Coefficient B			1.52968e+00
Coefficient C			-8.59640e-04
Coefficient D			1.68700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	257.53	J/mol×K	273.00	Calculated Property
Cp,gas	341.61	J/mol×K	353.78	Calculated Property
Cp,gas	416.80	J/mol×K	434.56	Calculated Property
Cp,gas	483.65	J/mol×K	515.33	Calculated Property
Cp,gas	542.68	J/mol×K	596.11	Calculated Property
Cp,gas	594.43	J/mol×K	676.89	Calculated Property
Cp,gas	639.44	J/mol×K	757.67	Calculated Property
Cp,gas	678.23	J/mol×K	838.44	Calculated Property
Cp,gas	711.34	J/mol×K	919.22	Calculated Property
Cp,gas	739.30	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0023277; 0.0004025]	Pa×s	[270.41; 546.06]	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			-9.53931e+00
Coefficient B			9.40060e+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.			270.41
Temperature range, max.			546.06
η	0.0023277	Pa×s	270.41	Calculated Property
η	0.0016342	Pa×s	301.04	Calculated Property
η	0.0012248	Pa×s	331.67	Calculated Property
η	0.0009639	Pa×s	362.29	Calculated Property
η	0.0007874	Pa×s	392.92	Calculated Property
η	0.0006623	Pa×s	423.55	Calculated Property
η	0.0005702	Pa×s	454.18	Calculated Property
η	0.0005003	Pa×s	484.81	Calculated Property
η	0.0004459	Pa×s	515.43	Calculated Property
η	0.0004025	Pa×s	546.06	Calculated Property

Similar Compounds

Find more compounds similar to chiloscyphene-6.

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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