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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	94.19	kJ/mol	Joback Calculated Property
ΔfH°gas	17.74	kJ/mol	Joback Calculated Property
ΔfusH°	6.22	kJ/mol	Joback Calculated Property
ΔvapH°	30.76	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
log10WS	-1.94		Crippen Calculated Property
logPoct/wat	1.893		Crippen Calculated Property
McVol	75.940	ml/mol	McGowan Calculated Property
Pc	4305.56	kPa	Joback 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	359.93	K	Joback Calculated Property
Tc	561.67	K	Joback Calculated Property
Tfus	186.56	K	Joback Calculated Property
Vc	0.285	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[116.91; 171.48]	J/mol×K	[359.93; 561.67]
Cp,gas	116.91	J/mol×K	359.93	Joback Calculated Property
Cp,gas	127.40	J/mol×K	393.55	Joback Calculated Property
Cp,gas	137.29	J/mol×K	427.18	Joback Calculated Property
Cp,gas	146.63	J/mol×K	460.80	Joback Calculated Property
Cp,gas	155.42	J/mol×K	494.42	Joback Calculated Property
Cp,gas	163.69	J/mol×K	528.04	Joback Calculated Property
Cp,gas	171.48	J/mol×K	561.67	Joback Calculated Property
η	[0.0002409; 0.0018579]	Pa×s	[186.56; 359.93]
η	0.0018579	Pa×s	186.56	Joback Calculated Property
η	0.0010520	Pa×s	215.45	Joback Calculated Property
η	0.0006814	Pa×s	244.35	Joback Calculated Property
η	0.0004838	Pa×s	273.25	Joback Calculated Property
η	0.0003668	Pa×s	302.14	Joback Calculated Property
η	0.0002919	Pa×s	331.03	Joback Calculated Property
η	0.0002409	Pa×s	359.93	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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