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_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).
• 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_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• I : 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°	-79.78	kJ/mol	Joback Calculated Property
ΔfH°gas	-358.93	kJ/mol	Joback Calculated Property
ΔfusH°	11.44	kJ/mol	Joback Calculated Property
ΔvapH°	46.29	kJ/mol	Joback Calculated Property
log10WS	-2.47		Crippen Calculated Property
logPoct/wat	2.374		Crippen Calculated Property
McVol	151.570	ml/mol	McGowan Calculated Property
Pc	2746.90	kPa	Joback 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	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
Tboil	531.05	K	Joback Calculated Property
Tc	745.15	K	Joback Calculated Property
Tfus	349.64	K	Joback Calculated Property
Vc	0.587	m3/kmol	Joback Calculated Property

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

• 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.