Chemical Properties of methylcyclopentadiene (CAS 26472-00-4)

InChI

InChI=1S/C12H16/c1-7-5-11-9-3-4-10(6-9)12(11)8(7)2/h3-5,7-10,12H,6H2,1-2H3

InChI Key

AFIMIVFSPBNZAF-UHFFFAOYSA-N

Formula

C12H16

SMILES

CC1C=C2C3C=CC(C3)C2C1C

Molecular Weight¹

160.26

CAS

26472-00-4

Other Names

• METHYL-1,3-CYCLOPENTADIENE

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• NFPA Fire : NFPA Fire Rating.
• NFPA Health : NFPA Health Rating.
• NFPA Safety : NFPA Safety Rating.
• P_vap : Vapor pressure (kPa).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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, Ionization energy, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[178.96; 527.09]	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			-1.22130e+02
Coefficient B			1.36244e+00
Coefficient C			-1.03992e-03
Coefficient D			3.26700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	178.96	J/mol×K	273.00	Calculated Property
Cp,gas	244.18	J/mol×K	353.78	Calculated Property
Cp,gas	300.36	J/mol×K	434.56	Calculated Property
Cp,gas	348.52	J/mol×K	515.33	Calculated Property
Cp,gas	389.71	J/mol×K	596.11	Calculated Property
Cp,gas	424.94	J/mol×K	676.89	Calculated Property
Cp,gas	455.27	J/mol×K	757.67	Calculated Property
Cp,gas	481.71	J/mol×K	838.44	Calculated Property
Cp,gas	505.31	J/mol×K	919.22	Calculated Property
Cp,gas	527.09	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005260; 0.0013882]	Pa×s	[280.86; 493.88]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-5.30020e+00
Coefficient B			-6.31950e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			280.86
Temperature range, max.			493.88
η	0.0005260	Pa×s	280.86	Calculated Property
η	0.0006265	Pa×s	304.53	Calculated Property
η	0.0007276	Pa×s	328.20	Calculated Property
η	0.0008283	Pa×s	351.87	Calculated Property
η	0.0009275	Pa×s	375.54	Calculated Property
η	0.0010248	Pa×s	399.21	Calculated Property
η	0.0011198	Pa×s	422.88	Calculated Property
η	0.0012121	Pa×s	446.55	Calculated Property
η	0.0013016	Pa×s	470.21	Calculated Property
η	0.0013882	Pa×s	493.88	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[250.09; 373.33]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.42065e+01
Coefficient B			-3.03728e+03
Coefficient C			-3.18730e+01
Temperature range, min.			250.09
Temperature range, max.			373.33
Pvap	1.33	kPa	250.09	Calculated Property
Pvap	3.03	kPa	263.78	Calculated Property
Pvap	6.30	kPa	277.48	Calculated Property
Pvap	12.10	kPa	291.17	Calculated Property
Pvap	21.77	kPa	304.86	Calculated Property
Pvap	37.04	kPa	318.56	Calculated Property
Pvap	60.03	kPa	332.25	Calculated Property
Pvap	93.30	kPa	345.94	Calculated Property
Pvap	139.74	kPa	359.64	Calculated Property
Pvap	202.64	kPa	373.33	Calculated Property

Similar Compounds

Find more compounds similar to methylcyclopentadiene.

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
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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