Chemical Properties of 2,3,7,7-tetramethylcyclohepta-1,3,5-triene

InChI

InChI=1S/C11H16/c1-9-6-5-7-11(3,4)8-10(9)2/h5-8H,1-4H3

InChI Key

QPLKPIRCFUUDGB-UHFFFAOYSA-N

Formula

C11H16

SMILES

CC1=CC=CC(C)(C)C=C1C

Molecular Weight¹

148.25

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	10.57	kJ/mol	Joback Calculated Property
IE	7.71	eV	Relay (1.0) Calculated Property
logPoct/wat	3.475		Crippen Calculated Property
McVol	142.090	ml/mol	McGowan Calculated Property
Inp	[1040.00; 1040.00]
Inp	1040.00		NIST
Inp	1040.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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, 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	[177.57; 481.03]	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			-7.58900e+01
Coefficient B			1.16628e+00
Coefficient C			-9.69560e-04
Coefficient D			3.60200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	177.57	J/mol×K	273.00	Calculated Property
Cp,gas	231.31	J/mol×K	353.78	Calculated Property
Cp,gas	277.39	J/mol×K	434.56	Calculated Property
Cp,gas	316.94	J/mol×K	515.33	Calculated Property
Cp,gas	351.11	J/mol×K	596.11	Calculated Property
Cp,gas	381.03	J/mol×K	676.89	Calculated Property
Cp,gas	407.84	J/mol×K	757.67	Calculated Property
Cp,gas	432.69	J/mol×K	838.44	Calculated Property
Cp,gas	456.70	J/mol×K	919.22	Calculated Property
Cp,gas	481.03	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2,3,7,7-tetramethylcyclohepta-1,3,5-triene.

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.
These property values are available through the Cheméo API. A free account gives you an access key.