Chemical Properties of 2-Methyl-1,3-cyclopentadiene (CAS 3727-31-9)

InChI

InChI=1S/C6H8/c1-6-4-2-3-5-6/h2,4-5H,3H2,1H3

InChI Key

AHQZRFBZJSCKAV-UHFFFAOYSA-N

Formula

C6H8

SMILES

CC1=CCC=C1

Molecular Weight¹

80.13

CAS

3727-31-9

Other Names

• 1,3-Cyclopentadiene,2-methyl-
• Cyclopentadiene, 2-methyl
• Cyclopentadiene, 3-methyl

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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.
• I : Polar retention indices.
• 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
ΔfusH°	6.22	kJ/mol	Joback Calculated Property
IE	[8.40; 8.46]	eV
IE	8.46 ± 0.05	eV	NIST
IE	8.40	eV	NIST
IE	8.45	eV	NIST
logPoct/wat	1.893		Crippen Calculated Property
McVol	75.940	ml/mol	McGowan Calculated Property
Inp	[621.00; 653.80]
Inp	644.00		NIST
Inp	642.00		NIST
Inp	630.00		NIST
Inp	627.50		NIST
Inp	Outlier 653.80		NIST
Inp	649.60		NIST
Inp	627.00		NIST
Inp	628.00		NIST
Inp	644.00		NIST
Inp	641.00		NIST
Inp	644.00		NIST
Inp	642.00		NIST
Inp	624.00		NIST
Inp	622.80		NIST
Inp	631.00		NIST
Inp	621.00		NIST
Inp	624.00		NIST
Inp	627.00		NIST
Inp	623.00		NIST
Inp	626.00		NIST
Inp	628.00		NIST
Inp	621.00		NIST
Inp	624.00		NIST
Inp	627.00		NIST
Inp	632.00		NIST
Inp	632.00		NIST
I	834.20		NIST
Tboil	347.21	K	Relay (1.0) Calculated Property
Tfus	170.53	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[116.97; 171.55]	J/mol×K	[360.13; 561.98]
Cp,gas	116.97	J/mol×K	360.13	Joback Calculated Property
Cp,gas	127.46	J/mol×K	393.77	Joback Calculated Property
Cp,gas	137.36	J/mol×K	427.41	Joback Calculated Property
Cp,gas	146.69	J/mol×K	461.05	Joback Calculated Property
Cp,gas	155.49	J/mol×K	494.70	Joback Calculated Property
Cp,gas	163.76	J/mol×K	528.34	Joback Calculated Property
Cp,gas	171.55	J/mol×K	561.98	Joback Calculated Property
η	[0.0002406; 0.0018579]	Pa×s	[186.56; 360.13]
η	0.0018579	Pa×s	186.56	Joback Calculated Property
η	0.0010514	Pa×s	215.49	Joback Calculated Property
η	0.0006808	Pa×s	244.42	Joback Calculated Property
η	0.0004833	Pa×s	273.35	Joback Calculated Property
η	0.0003664	Pa×s	302.27	Joback Calculated Property
η	0.0002915	Pa×s	331.20	Joback Calculated Property
η	0.0002406	Pa×s	360.13	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Methyl-1,3-cyclopentadiene.

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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
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