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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	87.79	kJ/mol	Joback Calculated Property
ΔfH°gas	-257.83	kJ/mol	Joback Calculated Property
ΔfusH°	20.37	kJ/mol	Joback Calculated Property
ΔvapH°	44.18	kJ/mol	Joback Calculated Property
IE	[8.50; 9.10]	eV
IE	8.50	eV	NIST
IE	9.10	eV	NIST
log10WS	-2.76		Crippen Calculated Property
logPoct/wat	2.848		Crippen Calculated Property
McVol	153.230	ml/mol	McGowan Calculated Property
Pc	2467.81	kPa	Joback Calculated Property
Tboil	515.80	K	Joback Calculated Property
Tc	729.04	K	Joback Calculated Property
Tfus	285.53	K	Joback Calculated Property
Vc	0.579	m3/kmol	Joback Calculated Property

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

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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