Chemical Properties of Bicyclo[2.2.1]heptane, 1,7,7-trimethyl-

InChI

InChI=1S/C10H18/c1-9(2)8-4-6-10(9,3)7-5-8/h8H,4-7H2,1-3H3

InChI Key

BEWYHVAWEKZDPP-UHFFFAOYSA-N

Formula

C10H18

SMILES

CC12CCC(CC1)C2(C)C

Molecular Weight¹

138.25

Other Names

• 1,7,7-Trimethylbicyclo[2.2.1]heptane
• Bornane
• Bornylane
• Camphane

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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_np : Non-polar retention indices.
• I_p : 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
ΔfusH°	4.30	kJ/mol	Joback Calculated Property
logPoct/wat	3.223		Crippen Calculated Property
McVol	130.040	ml/mol	McGowan Calculated Property
Inp	980.00		NIST
Ip	[1131.00; 1144.00]
Ip	1140.00		NIST
Ip	1131.00		NIST
Ip	1144.00		NIST
Ip	1140.00		NIST
Tfus	[429.40; 431.65]	K
Tfus	431.65	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	429.40 ± 2.00	K	NIST
Tfus	431.00 ± 5.00	K	NIST

Cheméo can also estimate Normal Boiling Point Temperature, 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, 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	[160.25; 517.81]	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			-2.05850e+02
Coefficient B			1.80336e+00
Coefficient C			-1.92400e-03
Coefficient D			8.44300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	160.25	J/mol×K	273.00	Calculated Property
Cp,gas	228.72	J/mol×K	353.78	Calculated Property
Cp,gas	283.77	J/mol×K	434.56	Calculated Property
Cp,gas	328.08	J/mol×K	515.33	Calculated Property
Cp,gas	364.31	J/mol×K	596.11	Calculated Property
Cp,gas	395.14	J/mol×K	676.89	Calculated Property
Cp,gas	423.23	J/mol×K	757.67	Calculated Property
Cp,gas	451.26	J/mol×K	838.44	Calculated Property
Cp,gas	481.90	J/mol×K	919.22	Calculated Property
Cp,gas	517.81	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Bicyclo[2.2.1]heptane, 1,7,7-trimethyl-.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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