Chemical Properties of Bicyclo[2.2.1]heptan-1-ol

InChI

InChI=1S/C7H12O/c8-7-3-1-6(5-7)2-4-7/h6,8H,1-5H2

InChI Key

NIZFPIBTGJOVRT-UHFFFAOYSA-N

Formula

C7H12O

SMILES

OC12CCC(CC1)C2

Molecular Weight¹

112.17

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• IE : Ionization energy (eV).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-205.76	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	5.85	kJ/mol	Joback Calculated Property
ΔvapH°	53.14	kJ/mol	Relay (1.0) Calculated Property
IE	9.36	eV	Relay (1.0) Calculated Property
logPoct/wat	1.311		Crippen Calculated Property
McVol	93.640	ml/mol	McGowan Calculated Property
Inp	[942.00; 942.00]
Inp	942.00		NIST
Inp	942.00		NIST
I	[1495.00; 1495.00]
I	1495.00		NIST
I	1495.00		NIST
Tfus	350.98	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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	[217.65; 283.90]	J/mol×K	[469.73; 671.19]
Cp,gas	217.65	J/mol×K	469.73	Joback Calculated Property
Cp,gas	231.01	J/mol×K	503.31	Joback Calculated Property
Cp,gas	243.28	J/mol×K	536.88	Joback Calculated Property
Cp,gas	254.58	J/mol×K	570.46	Joback Calculated Property
Cp,gas	265.03	J/mol×K	604.04	Joback Calculated Property
Cp,gas	274.77	J/mol×K	637.62	Joback Calculated Property
Cp,gas	283.90	J/mol×K	671.19	Joback Calculated Property

Similar Compounds

Find more compounds similar to Bicyclo[2.2.1]heptan-1-ol.

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.