Chemical Properties of 1,1'-Bicyclopropyl, 1,1'-dimethyl-

InChI

InChI=1S/C8H14/c1-7(3-4-7)8(2)5-6-8/h3-6H2,1-2H3

InChI Key

UEKMEJJABUQZMZ-UHFFFAOYSA-N

Formula

C8H14

SMILES

CC1(C2(C)CC2)CC1

Molecular Weight¹

110.20

Other Names

• 1,1'-Dimethyl bicyclopropyl

• 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).
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	14.65	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	0.15	kJ/mol	Joback Calculated Property
ΔvapH°	41.40	kJ/mol	Relay (1.0) Calculated Property
IE	[8.80; 9.30]	eV
IE	8.80	eV	NIST
IE	9.30	eV	NIST
logPoct/wat	2.587		Crippen Calculated Property
McVol	101.860	ml/mol	McGowan Calculated Property
Tboil	390.17	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[120.45; 406.19]	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			-2.04850e+02
Coefficient B			1.64944e+00
Coefficient C			-1.91700e-03
Coefficient D			8.78600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	120.45	J/mol×K	273.00	Calculated Property
Cp,gas	177.66	J/mol×K	353.78	Calculated Property
Cp,gas	222.02	J/mol×K	434.56	Calculated Property
Cp,gas	256.31	J/mol×K	515.33	Calculated Property
Cp,gas	283.31	J/mol×K	596.11	Calculated Property
Cp,gas	305.79	J/mol×K	676.89	Calculated Property
Cp,gas	326.55	J/mol×K	757.67	Calculated Property
Cp,gas	348.35	J/mol×K	838.44	Calculated Property
Cp,gas	373.97	J/mol×K	919.22	Calculated Property
Cp,gas	406.19	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 1,1'-Bicyclopropyl, 1,1'-dimethyl-.

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