Chemical Properties of 1,3-Cyclopentadiene, 5-(1-methylethylidene)- (CAS 2175-91-9)

InChI

InChI=1S/C8H10/c1-7(2)8-5-3-4-6-8/h3-6H,1-2H3

InChI Key

WXACXMWYHXOSIX-UHFFFAOYSA-N

Formula

C8H10

SMILES

CC(C)=C1C=CC=C1

Molecular Weight¹

106.17

CAS

2175-91-9

Other Names

• 1,3-Cyclopentadiene, 5-isopropylidene-
• 5-(1-Methylethylidene)-1,3-cyclopentadiene
• 5-Isopropylidene-1,3-cyclopentadiene
• 5-Isopropylidenecyclopentadiene
• 6,6-Dimethylfulvene
• Dimethylfulvene
• Fulvene, 6,6-dimethyl
• Isopropylidenecyclopentadiene

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• T_boilr : Boiling point at reduced pressure (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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.

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[332.50; 349.70]	K	[3.30; 6.70]
Tboilr	332.50 ± 0.50	K	3.30	NIST
Tboilr	349.70	K	6.70	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[119.22; 311.84]	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			-4.38400e+01
Coefficient B			7.32440e-01
Coefficient C			-5.39560e-04
Coefficient D			1.62800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	119.22	J/mol×K	273.00	Calculated Property
Cp,gas	154.96	J/mol×K	353.78	Calculated Property
Cp,gas	185.92	J/mol×K	434.56	Calculated Property
Cp,gas	212.60	J/mol×K	515.33	Calculated Property
Cp,gas	235.53	J/mol×K	596.11	Calculated Property
Cp,gas	255.22	J/mol×K	676.89	Calculated Property
Cp,gas	272.18	J/mol×K	757.67	Calculated Property
Cp,gas	286.92	J/mol×K	838.44	Calculated Property
Cp,gas	299.97	J/mol×K	919.22	Calculated Property
Cp,gas	311.84	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Cyclopentadiene, 5-(1-methylethylidene)-.

Sources

• 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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