Chemical Properties of 1,2,3-Trimethylcyclopentene (CAS 473-91-6)

InChI

InChI=1S/C8H14/c1-6-4-5-7(2)8(6)3/h6H,4-5H2,1-3H3

InChI Key

YNEQKUWRFVQFPF-UHFFFAOYSA-N

Formula

C8H14

SMILES

CC1=C(C)C(C)CC1

Molecular Weight¹

110.20

CAS

473-91-6

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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).
• P_vap : Vapor pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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	[140.59; 377.97]	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			-2.84900e+01
Coefficient B			7.20560e-01
Coefficient C			-3.92000e-04
Coefficient D			7.79000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	140.59	J/mol×K	273.00	Calculated Property
Cp,gas	180.82	J/mol×K	353.78	Calculated Property
Cp,gas	217.00	J/mol×K	434.56	Calculated Property
Cp,gas	249.40	J/mol×K	515.33	Calculated Property
Cp,gas	278.25	J/mol×K	596.11	Calculated Property
Cp,gas	303.80	J/mol×K	676.89	Calculated Property
Cp,gas	326.31	J/mol×K	757.67	Calculated Property
Cp,gas	346.00	J/mol×K	838.44	Calculated Property
Cp,gas	363.14	J/mol×K	919.22	Calculated Property
Cp,gas	377.97	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0013688; 0.0002377]	Pa×s	[216.62; 423.46]	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			-1.01777e+01
Coefficient B			7.76340e+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.			216.62
Temperature range, max.			423.46
η	0.0013688	Pa×s	216.62	Calculated Property
η	0.0009706	Pa×s	239.60	Calculated Property
η	0.0007310	Pa×s	262.58	Calculated Property
η	0.0005762	Pa×s	285.57	Calculated Property
η	0.0004706	Pa×s	308.55	Calculated Property
η	0.0003952	Pa×s	331.53	Calculated Property
η	0.0003396	Pa×s	354.51	Calculated Property
η	0.0002972	Pa×s	377.49	Calculated Property
η	0.0002641	Pa×s	400.48	Calculated Property
η	0.0002377	Pa×s	423.46	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[290.80; 420.84]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.45798e+01
Coefficient B			-3.42884e+03
Coefficient C			-5.08900e+01
Temperature range, min.			290.80
Temperature range, max.			420.84
Pvap	1.33	kPa	290.80	Calculated Property
Pvap	3.00	kPa	305.25	Calculated Property
Pvap	6.20	kPa	319.70	Calculated Property
Pvap	11.88	kPa	334.15	Calculated Property
Pvap	21.38	kPa	348.60	Calculated Property
Pvap	36.43	kPa	363.04	Calculated Property
Pvap	59.23	kPa	377.49	Calculated Property
Pvap	92.40	kPa	391.94	Calculated Property
Pvap	139.04	kPa	406.39	Calculated Property
Pvap	202.64	kPa	420.84	Calculated Property

Similar Compounds

Find more compounds similar to 1,2,3-Trimethylcyclopentene.

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
• The Yaws Handbook of Vapor Pressure

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