Chemical Properties of 1,4-Cyclohexadiene, 1-ethyl- (CAS 19841-74-8)

InChI

InChI=1S/C8H12/c1-2-8-6-4-3-5-7-8/h3-4,7H,2,5-6H2,1H3

InChI Key

PUQJLFYISQDJKP-UHFFFAOYSA-N

Formula

C8H12

SMILES

CCC1=CCC=CC1

Molecular Weight¹

108.18

CAS

19841-74-8

Other Names

• 1-Ethyl-1,4-cyclohexadiene

• 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).
• 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
ΔfusH°	9.29	kJ/mol	Joback Calculated Property
logPoct/wat	2.673		Crippen Calculated Property
McVol	104.120	ml/mol	McGowan Calculated Property
Inp	[900.00; 910.00]
Inp	910.00		NIST
Inp	900.00		NIST
Inp	900.00		NIST
Inp	900.00		NIST
Tboil	406.02	K	Relay (1.0) Calculated Property
Tfus	194.68	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[124.41; 344.83]	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			-4.60690e+01
Coefficient B			7.40920e-01
Coefficient C			-4.55320e-04
Coefficient D			1.05300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	124.41	J/mol×K	273.00	Calculated Property
Cp,gas	163.73	J/mol×K	353.78	Calculated Property
Cp,gas	198.56	J/mol×K	434.56	Calculated Property
Cp,gas	229.24	J/mol×K	515.33	Calculated Property
Cp,gas	256.11	J/mol×K	596.11	Calculated Property
Cp,gas	279.49	J/mol×K	676.89	Calculated Property
Cp,gas	299.72	J/mol×K	757.67	Calculated Property
Cp,gas	317.13	J/mol×K	838.44	Calculated Property
Cp,gas	332.06	J/mol×K	919.22	Calculated Property
Cp,gas	344.83	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0044114; 0.0002104]	Pa×s	[205.58; 432.24]	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			-1.12262e+01
Coefficient B			1.19290e+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.			205.58
Temperature range, max.			432.24
η	0.0044114	Pa×s	205.58	Calculated Property
η	0.0023418	Pa×s	230.76	Calculated Property
η	0.0014081	Pa×s	255.95	Calculated Property
η	0.0009275	Pa×s	281.13	Calculated Property
η	0.0006544	Pa×s	306.32	Calculated Property
η	0.0004868	Pa×s	331.50	Calculated Property
η	0.0003776	Pa×s	356.69	Calculated Property
η	0.0003028	Pa×s	381.87	Calculated Property
η	0.0002496	Pa×s	407.06	Calculated Property
η	0.0002104	Pa×s	432.24	Calculated Property

Similar Compounds

Find more compounds similar to 1,4-Cyclohexadiene, 1-ethyl-.

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.