Chemical Properties of 1,3-Cyclopentadiene, 5,5-dimethyl- (CAS 4125-18-2)

InChI

InChI=1S/C7H10/c1-7(2)5-3-4-6-7/h3-6H,1-2H3

InChI Key

QWJWPDHACGGABF-UHFFFAOYSA-N

Formula

C7H10

SMILES

CC1(C)C=CC=C1

Molecular Weight¹

94.15

CAS

4125-18-2

Other Names

• 5,5-Dimethylcyclopentadiene

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	86.60	kJ/mol	NIST
ΔfusH°	3.97	kJ/mol	Joback Calculated Property
IE	[8.20; 8.45]	eV
IE	8.20	eV	NIST
IE	8.22 ± 0.05	eV	NIST
IE	8.45	eV	NIST
logPoct/wat	2.139		Crippen Calculated Property
McVol	90.030	ml/mol	McGowan Calculated Property
Tfus	210.81	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[151.22; 218.52]	J/mol×K	[373.40; 581.02]
Cp,gas	151.22	J/mol×K	373.40	Joback Calculated Property
Cp,gas	164.96	J/mol×K	408.00	Joback Calculated Property
Cp,gas	177.56	J/mol×K	442.61	Joback Calculated Property
Cp,gas	189.10	J/mol×K	477.21	Joback Calculated Property
Cp,gas	199.71	J/mol×K	511.81	Joback Calculated Property
Cp,gas	209.48	J/mol×K	546.41	Joback Calculated Property
Cp,gas	218.52	J/mol×K	581.02	Joback Calculated Property

Similar Compounds

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