Chemical Properties of Isobornyl formate

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

InChI Key

RDWUNORUTVEHJF-UHFFFAOYSA-N

Formula

C11H18O2

SMILES

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

Molecular Weight¹

182.26

Other Names

• Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, formate, exo-
• 1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl formate, exo-
• Isoborneol, formate
• Bicyclo(2.2.1)heptan-2-ol, 1,7,7-trimethyl-, 2-formate, (1R,2R,4R)-rel-
• exo-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°	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	[1206.00; 1245.00]
Inp	1227.00		NIST
Inp	1236.00		NIST
Inp	1233.00		NIST
Inp	1237.00		NIST
Inp	1223.00		NIST
Inp	1244.00		NIST
Inp	1240.00		NIST
Inp	1236.00		NIST
Inp	1222.00		NIST
Inp	1233.00		NIST
Inp	1217.00		NIST
Inp	1231.00		NIST
Inp	1227.00		NIST
Inp	1228.00		NIST
Inp	1222.00		NIST
Inp	1227.00		NIST
Inp	1237.00		NIST
Inp	1245.00		NIST
Inp	1229.00		NIST
Inp	1235.00		NIST
Inp	Outlier 1206.00		NIST
Inp	1228.00		NIST
Inp	1227.00		NIST
Inp	Outlier 1206.00		NIST
I	[1574.00; 1596.00]
I	1574.00		NIST
I	1596.00		NIST
I	1596.00		NIST
I	1574.00		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

Similar Compounds

Find more compounds similar to Isobornyl formate.

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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