Chemical Properties of 3,3-dimethylcyclopentene (CAS 58049-91-5)

InChI

InChI=1S/C7H12/c1-7(2)5-3-4-6-7/h3,5H,4,6H2,1-2H3

InChI Key

FONFXXNTLGAHGI-UHFFFAOYSA-N

Formula

C7H12

SMILES

CC1(C)C=CCC1

Molecular Weight¹

96.17

CAS

58049-91-5

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• P_vap : Vapor pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	2.75	kJ/mol	Joback Calculated Property
IE	9.09	eV	Relay (1.0) Calculated Property
logPoct/wat	2.363		Crippen Calculated Property
McVol	94.330	ml/mol	McGowan Calculated Property
Tboil	[350.90; 351.40]	K
Tboil	350.90 ± 2.00	K	NIST
Tboil	351.40 ± 2.00	K	NIST

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, 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	[162.74; 237.75]	J/mol×K	[374.24; 579.63]
Cp,gas	162.74	J/mol×K	374.24	Joback Calculated Property
Cp,gas	177.82	J/mol×K	408.47	Joback Calculated Property
Cp,gas	191.74	J/mol×K	442.70	Joback Calculated Property
Cp,gas	204.60	J/mol×K	476.93	Joback Calculated Property
Cp,gas	216.48	J/mol×K	511.16	Joback Calculated Property
Cp,gas	227.50	J/mol×K	545.39	Joback Calculated Property
Cp,gas	237.75	J/mol×K	579.63	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[262.40; 402.28]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.29089e+01
Coefficient B			-2.66979e+03
Coefficient C			-5.08700e+01
Temperature range, min.			262.40
Temperature range, max.			402.28
Pvap	1.33	kPa	262.40	Calculated Property
Pvap	3.16	kPa	277.94	Calculated Property
Pvap	6.72	kPa	293.48	Calculated Property
Pvap	13.03	kPa	309.03	Calculated Property
Pvap	23.44	kPa	324.57	Calculated Property
Pvap	39.59	kPa	340.11	Calculated Property
Pvap	63.38	kPa	355.65	Calculated Property
Pvap	96.95	kPa	371.20	Calculated Property
Pvap	142.58	kPa	386.74	Calculated Property
Pvap	202.65	kPa	402.28	Calculated Property

Similar Compounds

Find more compounds similar to 3,3-dimethylcyclopentene.

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

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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