Chemical Properties of Benzene, (1-methyl-2-cyclopropen-1-yl)-

InChI

InChI=1S/C10H10/c1-10(7-8-10)9-5-3-2-4-6-9/h2-8H,1H3

InChI Key

QPQKDBYTARBUDX-UHFFFAOYSA-N

Formula

C10H10

SMILES

CC1(c2ccccc2)C=C1

Molecular Weight¹

130.19

Other Names

• 1-Cyclopropene, 3-methyl-3-phenyl-
• 1-Methyl-1-phenyl-2-cyclopropene
• 3-Methyl-3-phenylcyclopropene

• 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).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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	262.51	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	8.76	kJ/mol	Joback Calculated Property
IE	[8.20; 8.49]	eV
IE	8.29	eV	NIST
IE	8.20	eV	NIST
IE	8.49	eV	NIST
log10WS	-3.64		Relay (1.0) Calculated Property
logPoct/wat	2.514		Crippen Calculated Property
McVol	112.840	ml/mol	McGowan Calculated Property
Tboil	426.61	K	Relay (1.0) Calculated Property
Tfus	227.69	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 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	[126.52; 372.48]	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			-1.32560e+02
Coefficient B			1.26172e+00
Coefficient C			-1.29148e-03
Coefficient D			5.34800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	126.52	J/mol×K	273.00	Calculated Property
Cp,gas	175.85	J/mol×K	353.78	Calculated Property
Cp,gas	215.73	J/mol×K	434.56	Calculated Property
Cp,gas	247.86	J/mol×K	515.33	Calculated Property
Cp,gas	273.93	J/mol×K	596.11	Calculated Property
Cp,gas	295.62	J/mol×K	676.89	Calculated Property
Cp,gas	314.63	J/mol×K	757.67	Calculated Property
Cp,gas	332.65	J/mol×K	838.44	Calculated Property
Cp,gas	351.37	J/mol×K	919.22	Calculated Property
Cp,gas	372.48	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, (1-methyl-2-cyclopropen-1-yl)-.

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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