Chemical Properties of 1,3-Cyclopentadiene, 1-butyl

InChI

InChI=1S/C9H14/c1-2-3-6-9-7-4-5-8-9/h4-5,7H,2-3,6,8H2,1H3

InChI Key

FTFYDDRPCCMKBT-UHFFFAOYSA-N

Formula

C9H14

SMILES

CCCCC1=CC=CC1

Molecular Weight¹

122.21

• 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).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	13.98	kJ/mol	Joback Calculated Property
IE	8.37	eV	Relay (1.0) Calculated Property
logPoct/wat	3.063		Crippen Calculated Property
McVol	118.210	ml/mol	McGowan Calculated Property
Inp	[916.00; 916.00]
Inp	916.00		NIST
Inp	916.00		NIST
I	1118.10		NIST
Tboil	421.89	K	Relay (1.0) Calculated Property

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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[150.52; 394.64]	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			-4.18570e+01
Coefficient B			8.45520e-01
Coefficient C			-5.56120e-04
Coefficient D			1.47100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	150.52	J/mol×K	273.00	Calculated Property
Cp,gas	194.18	J/mol×K	353.78	Calculated Property
Cp,gas	232.62	J/mol×K	434.56	Calculated Property
Cp,gas	266.31	J/mol×K	515.33	Calculated Property
Cp,gas	295.71	J/mol×K	596.11	Calculated Property
Cp,gas	321.28	J/mol×K	676.89	Calculated Property
Cp,gas	343.50	J/mol×K	757.67	Calculated Property
Cp,gas	362.82	J/mol×K	838.44	Calculated Property
Cp,gas	379.71	J/mol×K	919.22	Calculated Property
Cp,gas	394.64	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0029321; 0.0002604]	Pa×s	[220.37; 438.04]	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			-1.07043e+01
Coefficient B			1.07369e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			220.37
Temperature range, max.			438.04
η	0.0029321	Pa×s	220.37	Calculated Property
η	0.0018110	Pa×s	244.56	Calculated Property
η	0.0012199	Pa×s	268.74	Calculated Property
η	0.0008771	Pa×s	292.93	Calculated Property
η	0.0006632	Pa×s	317.11	Calculated Property
η	0.0005217	Pa×s	341.30	Calculated Property
η	0.0004237	Pa×s	365.48	Calculated Property
η	0.0003531	Pa×s	389.67	Calculated Property
η	0.0003005	Pa×s	413.86	Calculated Property
η	0.0002604	Pa×s	438.04	Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Cyclopentadiene, 1-butyl.

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.
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