Chemical Properties of Tricyclo[4.3.1.1(2,5)]undec-3-en-10-ol, stereoisomer (CAS 70220-95-0)

InChI

InChI=1S/C11H16O/c12-11-9-2-1-3-10(11)8-5-4-7(9)6-8/h4-5,7-12H,1-3,6H2

InChI Key

XKEDIGAHBBTICC-UHFFFAOYSA-N

Formula

C11H16O

SMILES

OC1C2CCCC1C1C=CC2C1

Molecular Weight¹

164.24

CAS

70220-95-0

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-177.51	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.90	kJ/mol	Joback Calculated Property
ΔvapH°	74.33	kJ/mol	Relay (1.0) Calculated Property
IE	[8.40; 8.82]	eV
IE	8.40	eV	NIST
IE	8.82	eV	NIST
logPoct/wat	1.969		Crippen Calculated Property
McVol	134.840	ml/mol	McGowan Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, 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	[169.28; 530.29]	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			-1.43130e+02
Coefficient B			1.40730e+00
Coefficient C			-1.04928e-03
Coefficient D			3.15400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	169.28	J/mol×K	273.00	Calculated Property
Cp,gas	237.38	J/mol×K	353.78	Calculated Property
Cp,gas	296.16	J/mol×K	434.56	Calculated Property
Cp,gas	346.61	J/mol×K	515.33	Calculated Property
Cp,gas	389.73	J/mol×K	596.11	Calculated Property
Cp,gas	426.52	J/mol×K	676.89	Calculated Property
Cp,gas	457.97	J/mol×K	757.67	Calculated Property
Cp,gas	485.08	J/mol×K	838.44	Calculated Property
Cp,gas	508.86	J/mol×K	919.22	Calculated Property
Cp,gas	530.29	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0056192; 0.0009310]	Pa×s	[313.61; 537.38]	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			-9.49862e+00
Coefficient B			1.35387e+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.			313.61
Temperature range, max.			537.38
η	0.0056192	Pa×s	313.61	Calculated Property
η	0.0040921	Pa×s	338.47	Calculated Property
η	0.0031123	Pa×s	363.34	Calculated Property
η	0.0024515	Pa×s	388.20	Calculated Property
η	0.0019873	Pa×s	413.06	Calculated Property
η	0.0016499	Pa×s	437.93	Calculated Property
η	0.0013974	Pa×s	462.79	Calculated Property
η	0.0012037	Pa×s	487.65	Calculated Property
η	0.0010521	Pa×s	512.51	Calculated Property
η	0.0009310	Pa×s	537.38	Calculated Property

Similar Compounds

Find more compounds similar to Tricyclo[4.3.1.1(2,5)]undec-3-en-10-ol, stereoisomer.

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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