Chemical Properties of 7,7-Dimethyl-bicyclo[2.2.1]heptan-2-ol (CAS 26908-71-4)

InChI

InChI=1S/C9H16O/c1-9(2)6-3-4-7(9)8(10)5-6/h6-8,10H,3-5H2,1-2H3

InChI Key

DELDHDFPNUZDOP-UHFFFAOYSA-N

Formula

C9H16O

SMILES

CC1(C)C2CCC1C(O)C2

Molecular Weight¹

140.22

CAS

26908-71-4

Other Names

• Bicyclo[2.2.1]heptan-2-ol, 7,7-dimethyl, exo

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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
ΔfH°gas	-248.75	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	13.17	kJ/mol	Joback Calculated Property
logPoct/wat	1.803		Crippen Calculated Property
McVol	121.820	ml/mol	McGowan Calculated Property
I	[1667.00; 1667.00]
I	1667.00		NIST
I	1667.00		NIST
Tboil	478.77	K	Relay (1.0) Calculated Property
Tfus	422.07	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[157.73; 484.22]	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			-1.43720e+02
Coefficient B			1.42394e+00
Coefficient C			-1.31200e-03
Coefficient D			5.16000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	157.73	J/mol×K	273.00	Calculated Property
Cp,gas	218.68	J/mol×K	353.78	Calculated Property
Cp,gas	269.65	J/mol×K	434.56	Calculated Property
Cp,gas	312.28	J/mol×K	515.33	Calculated Property
Cp,gas	348.19	J/mol×K	596.11	Calculated Property
Cp,gas	379.03	J/mol×K	676.89	Calculated Property
Cp,gas	406.42	J/mol×K	757.67	Calculated Property
Cp,gas	431.99	J/mol×K	838.44	Calculated Property
Cp,gas	457.38	J/mol×K	919.22	Calculated Property
Cp,gas	484.22	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 7,7-Dimethyl-bicyclo[2.2.1]heptan-2-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.
These property values are available through the Cheméo API. A free account gives you an access key.