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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[199.87; 613.01]	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			-1.31610e+02
Coefficient B			1.46112e+00
Coefficient C			-9.75000e-04
Coefficient D			2.58500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	199.87	J/mol×K	273.00	Calculated Property
Cp,gas	274.72	J/mol×K	353.78	Calculated Property
Cp,gas	340.42	J/mol×K	434.56	Calculated Property
Cp,gas	397.80	J/mol×K	515.33	Calculated Property
Cp,gas	447.67	J/mol×K	596.11	Calculated Property
Cp,gas	490.85	J/mol×K	676.89	Calculated Property
Cp,gas	528.16	J/mol×K	757.67	Calculated Property
Cp,gas	560.41	J/mol×K	838.44	Calculated Property
Cp,gas	588.42	J/mol×K	919.22	Calculated Property
Cp,gas	613.01	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010770; 0.0011701]	Pa×s	[285.53; 510.52]	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			-6.64543e+00
Coefficient B			-5.37100e+01
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			285.53
Temperature range, max.			510.52
η	0.0010770	Pa×s	285.53	Calculated Property
η	0.0010935	Pa×s	310.53	Calculated Property
η	0.0011077	Pa×s	335.53	Calculated Property
η	0.0011200	Pa×s	360.53	Calculated Property
η	0.0011309	Pa×s	385.53	Calculated Property
η	0.0011405	Pa×s	410.53	Calculated Property
η	0.0011491	Pa×s	435.53	Calculated Property
η	0.0011568	Pa×s	460.52	Calculated Property
η	0.0011638	Pa×s	485.52	Calculated Property
η	0.0011701	Pa×s	510.52	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.
These property values are available through the Cheméo API. A free account gives you an access key.