Chemical Properties of Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, formate, endo- (CAS 7492-41-3)

InChI

InChI=1S/C11H18O2/c1-10(2)8-4-5-11(10,3)9(6-8)13-7-12/h7-9H,4-6H2,1-3H3/t8?,9-,11?/m0/s1

InChI Key

RDWUNORUTVEHJF-YUCVTWSNSA-N

Formula

C11H18O2

SMILES

CC1(C)C2CCC1(C)C(OC=O)C2

Molecular Weight¹

182.26

CAS

7492-41-3

Other Names

• Borneol, formate
• Bornyl formate
• 1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl formate, endo-
• Endoisobornylformate
• endo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl formate

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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_np : Non-polar retention indices.
• 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°	11.44	kJ/mol	Joback Calculated Property
log10WS	-2.97		Relay (1.0) Calculated Property
logPoct/wat	2.374		Crippen Calculated Property
McVol	151.570	ml/mol	McGowan Calculated Property
Inp	[1199.00; 1239.00]
Inp	1232.00		NIST
Inp	1228.00		NIST
Inp	1228.00		NIST
Inp	1208.00		NIST
Inp	1217.00		NIST
Inp	1208.00		NIST
Inp	1223.00		NIST
Inp	1236.00		NIST
Inp	1199.00		NIST
Inp	1220.00		NIST
Inp	1199.00		NIST
Inp	1239.00		NIST
Inp	1239.00		NIST
Inp	1228.00		NIST
Inp	1199.00		NIST
I	[1543.00; 1610.00]
I	1592.00		NIST
I	Outlier 1543.00		NIST
I	1597.00		NIST
I	1588.00		NIST
I	1588.00		NIST
I	1588.00		NIST
I	1610.00		NIST
I	1588.00		NIST
I	1588.00		NIST
I	1588.00		NIST
I	1588.00		NIST
I	1588.00		NIST
I	1610.00		NIST
I	1588.00		NIST
I	1597.00		NIST
I	1592.00		NIST
Tboil	485.36	K	Relay (1.0) Calculated Property
Tfus	380.42	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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[389.47; 481.62]	J/mol×K	[531.05; 745.15]
Cp,gas	389.47	J/mol×K	531.05	Joback Calculated Property
Cp,gas	407.28	J/mol×K	566.73	Joback Calculated Property
Cp,gas	423.82	J/mol×K	602.42	Joback Calculated Property
Cp,gas	439.31	J/mol×K	638.10	Joback Calculated Property
Cp,gas	453.97	J/mol×K	673.79	Joback Calculated Property
Cp,gas	468.00	J/mol×K	709.47	Joback Calculated Property
Cp,gas	481.62	J/mol×K	745.15	Joback Calculated Property
ΔvapH	52.70	kJ/mol	403.50	NIST

Similar Compounds

Find more compounds similar to Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, formate, endo-.

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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
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