Chemical Properties of Pentacyclo[3.3.3.02,4.06,8.09.11]undecane, stereoisomer

InChI

InChI=1S/C11H14/c1-4-5(1)11-7-2-6(7)10(4)8-3-9(8)11/h4-11H,1-3H2

InChI Key

TZRQBQARGUABOE-UHFFFAOYSA-N

Formula

C11H14

SMILES

C1C2C1C1C3CC3C2C2CC21

Molecular Weight¹

146.23

Other Names

• Pentacyclo[3.3.3.0

• 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	240.03	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	26.53	kJ/mol	Joback Calculated Property
ΔvapH°	51.21	kJ/mol	Relay (1.0) Calculated Property
IE	[8.60; 8.80]	eV
IE	8.60	eV	NIST
IE	8.80	eV	NIST
logPoct/wat	2.154		Crippen Calculated Property
McVol	111.550	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	[147.98; 498.38]	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			-2.20020e+02
Coefficient B			1.76220e+00
Coefficient C			-1.69500e-03
Coefficient D			6.51200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	147.98	J/mol×K	273.00	Calculated Property
Cp,gas	220.10	J/mol×K	353.78	Calculated Property
Cp,gas	279.11	J/mol×K	434.56	Calculated Property
Cp,gas	327.08	J/mol×K	515.33	Calculated Property
Cp,gas	366.07	J/mol×K	596.11	Calculated Property
Cp,gas	398.14	J/mol×K	676.89	Calculated Property
Cp,gas	425.35	J/mol×K	757.67	Calculated Property
Cp,gas	449.75	J/mol×K	838.44	Calculated Property
Cp,gas	473.41	J/mol×K	919.22	Calculated Property
Cp,gas	498.38	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003758; 0.0086057]	Pa×s	[304.79; 459.90]	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			1.39720e+00
Coefficient B			-2.82955e+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.			304.79
Temperature range, max.			459.90
η	0.0003758	Pa×s	304.79	Calculated Property
η	0.0006177	Pa×s	322.02	Calculated Property
η	0.0009652	Pa×s	339.26	Calculated Property
η	0.0014445	Pa×s	356.49	Calculated Property
η	0.0020830	Pa×s	373.73	Calculated Property
η	0.0029083	Pa×s	390.96	Calculated Property
η	0.0039477	Pa×s	408.20	Calculated Property
η	0.0052275	Pa×s	425.43	Calculated Property
η	0.0067726	Pa×s	442.67	Calculated Property
η	0.0086057	Pa×s	459.90	Calculated Property

Similar Compounds

Find more compounds similar to Pentacyclo[3.3.3.02,4.06,8.09.11]undecane, 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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