Chemical Properties of bornyl methyl ether

InChI

InChI=1S/C11H20O/c1-10(2)8-5-6-11(10,3)9(7-8)12-4/h8-9H,5-7H2,1-4H3

InChI Key

ZRHVOKYSOWTPIG-UHFFFAOYSA-N

Formula

C11H20O

SMILES

COC1CC2CCC1(C)C2(C)C

Molecular Weight¹

168.28

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I : Polar retention indices.
• 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
ΔfusH°	9.15	kJ/mol	Joback Calculated Property
log10WS	-3.15		Relay (1.0) Calculated Property
logPoct/wat	2.848		Crippen Calculated Property
McVol	150.000	ml/mol	McGowan Calculated Property
I	[1252.00; 1252.00]
I	1252.00		NIST
I	1252.00		NIST
Tboil	467.77	K	Relay (1.0) Calculated Property
Tfus	329.70	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[199.13; 594.56]	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			-1.75320e+02
Coefficient B			1.80868e+00
Coefficient C			-1.81200e-03
Coefficient D			7.73200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	199.13	J/mol×K	273.00	Calculated Property
Cp,gas	272.00	J/mol×K	353.78	Calculated Property
Cp,gas	331.93	J/mol×K	434.56	Calculated Property
Cp,gas	381.36	J/mol×K	515.33	Calculated Property
Cp,gas	422.75	J/mol×K	596.11	Calculated Property
Cp,gas	458.53	J/mol×K	676.89	Calculated Property
Cp,gas	491.16	J/mol×K	757.67	Calculated Property
Cp,gas	523.08	J/mol×K	838.44	Calculated Property
Cp,gas	556.73	J/mol×K	919.22	Calculated Property
Cp,gas	594.56	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to bornyl methyl ether.

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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