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).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• I_p : 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°	14.01	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
Ip	[1543.00; 1610.00]
Ip	1592.00		NIST
Ip	Outlier 1543.00		NIST
Ip	1597.00		NIST
Ip	1588.00		NIST
Ip	1588.00		NIST
Ip	1588.00		NIST
Ip	1610.00		NIST
Ip	1588.00		NIST
Ip	1588.00		NIST
Ip	1588.00		NIST
Ip	1588.00		NIST
Ip	1588.00		NIST
Ip	1610.00		NIST
Ip	1588.00		NIST
Ip	1597.00		NIST
Ip	1592.00		NIST
Tboil	485.36	K	Relay (1.0) Calculated Property
Tfus	358.83	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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[194.55; 568.04]	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			-1.95820e+02
Coefficient B			1.92016e+00
Coefficient C			-2.03580e-03
Coefficient D			8.79500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	194.55	J/mol×K	273.00	Calculated Property
Cp,gas	267.63	J/mol×K	353.78	Calculated Property
Cp,gas	326.33	J/mol×K	434.56	Calculated Property
Cp,gas	373.42	J/mol×K	515.33	Calculated Property
Cp,gas	411.69	J/mol×K	596.11	Calculated Property
Cp,gas	443.92	J/mol×K	676.89	Calculated Property
Cp,gas	472.89	J/mol×K	757.67	Calculated Property
Cp,gas	501.37	J/mol×K	838.44	Calculated Property
Cp,gas	532.17	J/mol×K	919.22	Calculated Property
Cp,gas	568.04	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.13; 100.55]	kPa	[320.00; 487.00]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.61644e+01
Coefficient B			-5.29361e+03
Coefficient C			-2.88310e+01
Reference			Stull, 1947
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			320.00
Temperature range, max.			487.00
Pvap	0.13	kPa	320.00	Calculated Property
Pvap	0.40	kPa	338.56	Calculated Property
Pvap	1.04	kPa	357.11	Calculated Property
Pvap	2.46	kPa	375.67	Calculated Property
Pvap	5.35	kPa	394.22	Calculated Property
Pvap	10.77	kPa	412.78	Calculated Property
Pvap	20.34	kPa	431.33	Calculated Property
Pvap	36.32	kPa	449.89	Calculated Property
Pvap	61.74	kPa	468.44	Calculated Property
Pvap	100.55	kPa	487.00	Calculated Property

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

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