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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-100.76	kJ/mol	Joback Calculated Property
ΔfH°gas	-406.57	kJ/mol	Joback Calculated Property
ΔfusH°	13.34	kJ/mol	Joback Calculated Property
ΔvapH°	48.54	kJ/mol	Joback Calculated Property
log10WS	-2.88		Crippen Calculated Property
logPoct/wat	2.764		Crippen Calculated Property
McVol	165.660	ml/mol	McGowan Calculated Property
Pc	2462.92	kPa	Joback 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
Inp	1289.00		NIST
Tboil	496.70	K	NIST
Tc	774.82	K	Joback Calculated Property
Tfus	368.84	K	Joback Calculated Property
Vc	0.631	m3/kmol	Joback Calculated Property

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

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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