Chemical Properties of Cyclopentene, 1-(2-methylbutyl)- (CAS 53366-53-3)

InChI

InChI=1S/C10H18/c1-3-9(2)8-10-6-4-5-7-10/h6,9H,3-5,7-8H2,1-2H3

InChI Key

MYDUZRJIUKNRNR-UHFFFAOYSA-N

Formula

C10H18

SMILES

CCC(C)CC1=CCCC1

Molecular Weight¹

138.25

CAS

53366-53-3

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-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
ΔfH°gas	-115.25	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	11.83	kJ/mol	Joback Calculated Property
ΔvapH°	48.05	kJ/mol	Relay (1.0) Calculated Property
IE	8.25	eV	Relay (1.0) Calculated Property
logPoct/wat	3.533		Crippen Calculated Property
McVol	136.600	ml/mol	McGowan Calculated Property
Inp	[993.00; 997.00]
Inp	997.00		NIST
Inp	993.00		NIST
Inp	997.00		NIST
Inp	993.00		NIST
Tboil	444.93	K	Relay (1.0) Calculated Property
Tfus	174.50	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[177.89; 478.07]	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			-5.22280e+01
Coefficient B			1.00244e+00
Coefficient C			-6.26440e-04
Coefficient D			1.54300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	177.89	J/mol×K	273.00	Calculated Property
Cp,gas	230.84	J/mol×K	353.78	Calculated Property
Cp,gas	277.75	J/mol×K	434.56	Calculated Property
Cp,gas	319.12	J/mol×K	515.33	Calculated Property
Cp,gas	355.42	J/mol×K	596.11	Calculated Property
Cp,gas	387.15	J/mol×K	676.89	Calculated Property
Cp,gas	414.79	J/mol×K	757.67	Calculated Property
Cp,gas	438.83	J/mol×K	838.44	Calculated Property
Cp,gas	459.76	J/mol×K	919.22	Calculated Property
Cp,gas	478.07	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0062360; 0.0002630]	Pa×s	[215.88; 454.66]	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			-1.11059e+01
Coefficient B			1.30143e+03
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.			215.88
Temperature range, max.			454.66
η	0.0062360	Pa×s	215.88	Calculated Property
η	0.0032237	Pa×s	242.41	Calculated Property
η	0.0018982	Pa×s	268.94	Calculated Property
η	0.0012292	Pa×s	295.47	Calculated Property
η	0.0008551	Pa×s	322.00	Calculated Property
η	0.0006287	Pa×s	348.54	Calculated Property
η	0.0004827	Pa×s	375.07	Calculated Property
η	0.0003838	Pa×s	401.60	Calculated Property
η	0.0003140	Pa×s	428.13	Calculated Property
η	0.0002630	Pa×s	454.66	Calculated Property

Similar Compounds

Find more compounds similar to Cyclopentene, 1-(2-methylbutyl)-.

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.