Chemical Properties of Tricyclo[4.3.1.1(2,5)]undecane, 10-methoxy-, stereoisomer (CAS 85538-50-7)

InChI

InChI=1S/C12H20O/c1-13-12-10-3-2-4-11(12)9-6-5-8(10)7-9/h8-12H,2-7H2,1H3

InChI Key

FZLYZEQLJWOGIF-UHFFFAOYSA-N

Formula

C12H20O

SMILES

COC1C2CCCC1C1CCC2C1

Molecular Weight¹

180.29

CAS

85538-50-7

• 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).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-260.03	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.37	kJ/mol	Joback Calculated Property
IE	[8.50; 9.10]	eV
IE	8.50	eV	NIST
IE	9.10	eV	NIST
logPoct/wat	2.848		Crippen Calculated Property
McVol	153.230	ml/mol	McGowan Calculated Property
Tboil	515.51	K	Relay (1.0) Calculated Property
Tfus	349.22	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[398.11; 515.56]	J/mol×K	[515.80; 729.04]
Cp,gas	398.11	J/mol×K	515.80	Joback Calculated Property
Cp,gas	420.91	J/mol×K	551.34	Joback Calculated Property
Cp,gas	442.33	J/mol×K	586.88	Joback Calculated Property
Cp,gas	462.43	J/mol×K	622.42	Joback Calculated Property
Cp,gas	481.29	J/mol×K	657.96	Joback Calculated Property
Cp,gas	498.97	J/mol×K	693.50	Joback Calculated Property
Cp,gas	515.56	J/mol×K	729.04	Joback Calculated Property
η	[0.0010770; 0.0011714]	Pa×s	[285.53; 515.80]
η	0.0010770	Pa×s	285.53	Joback Calculated Property
η	0.0011013	Pa×s	323.91	Joback Calculated Property
η	0.0011208	Pa×s	362.29	Joback Calculated Property
η	0.0011369	Pa×s	400.66	Joback Calculated Property
η	0.0011503	Pa×s	439.04	Joback Calculated Property
η	0.0011616	Pa×s	477.42	Joback Calculated Property
η	0.0011714	Pa×s	515.80	Joback Calculated Property

Similar Compounds

Find more compounds similar to Tricyclo[4.3.1.1(2,5)]undecane, 10-methoxy-, 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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