Chemical Properties of Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, (1S-endo)- (CAS 5655-61-8)

InChI

InChI=1S/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3/t9-,10+,12+/m1/s1

InChI Key

KGEKLUUHTZCSIP-SCVCMEIPSA-N

Formula

C12H20O2

SMILES

CC(=O)OC1CC2CCC1(C)C2(C)C

Molecular Weight¹

196.29

CAS

5655-61-8

Other Names

• Borneol, acetate, (1S,2R,4S)-(-)-
• (-)-Bornyl acetate
• L-«alpha»-bornyl acetate
• L-bornyl acetate
• Levo-bornyl acetate
• L-born-2-yl acetate

• 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_np : Non-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°	13.34	kJ/mol	Joback Calculated Property
log10WS	-2.95		Relay (1.0) Calculated Property
logPoct/wat	2.764		Crippen Calculated Property
McVol	165.660	ml/mol	McGowan Calculated Property
Inp	[1273.00; 1302.00]
Inp	1285.00		NIST
Inp	1280.00		NIST
Inp	1284.00		NIST
Inp	1289.00		NIST
Inp	1282.00		NIST
Inp	Outlier 1302.00		NIST
Inp	1284.00		NIST
Inp	1273.00		NIST
Inp	1283.00		NIST
Tboil	496.70	K	NIST
Tfus	346.06	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	[437.90; 536.18]	J/mol×K	[559.14; 774.82]
Cp,gas	437.90	J/mol×K	559.14	Joback Calculated Property
Cp,gas	456.54	J/mol×K	595.09	Joback Calculated Property
Cp,gas	474.00	J/mol×K	631.03	Joback Calculated Property
Cp,gas	490.47	J/mol×K	666.98	Joback Calculated Property
Cp,gas	506.18	J/mol×K	702.93	Joback Calculated Property
Cp,gas	521.34	J/mol×K	738.88	Joback Calculated Property
Cp,gas	536.18	J/mol×K	774.82	Joback Calculated Property

Similar Compounds

Find more compounds similar to Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, (1S-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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