Chemical Properties of 3,4-Diethylhexa-1,5-diene

InChI

InChI=1S/C10H18/c1-5-9(6-2)10(7-3)8-4/h5,7,9-10H,1,3,6,8H2,2,4H3

InChI Key

SLBUEUWNNTZSNQ-UHFFFAOYSA-N

Formula

C10H18

SMILES

C=CC(CC)C(C=C)CC

Molecular Weight¹

138.25

• ω : Acentric Factor.
• 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).
• 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.3044		Relay (1.0) Calculated Property
ΔfusH°	12.05	kJ/mol	Joback Calculated Property
ΔvapH°	47.32	kJ/mol	Relay (1.0) Calculated Property
IE	9.01	eV	Relay (1.0) Calculated Property
logPoct/wat	3.411		Crippen Calculated Property
McVol	143.160	ml/mol	McGowan Calculated Property
Pc	2315.84	kPa	Joback Calculated Property
Inp	[893.00; 900.00]
Inp	894.00		NIST
Inp	898.00		NIST
Inp	893.00		NIST
Inp	898.00		NIST
Inp	895.00		NIST
Inp	900.00		NIST
Inp	893.00		NIST
Inp	894.00		NIST
Ip	[952.00; 952.00]
Ip	952.00		NIST
Ip	952.00		NIST
Tboil	425.59	K	Relay (1.0) Calculated Property
Tc	583.54	K	Relay (1.0) Calculated Property
Tfus	191.28	K	Relay (1.0) Calculated Property
Vc	0.495	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, 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	[197.37; 479.29]	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			-1.55480e+01
Coefficient B			9.25640e-01
Coefficient C			-5.72400e-04
Coefficient D			1.41600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	197.37	J/mol×K	273.00	Calculated Property
Cp,gas	246.55	J/mol×K	353.78	Calculated Property
Cp,gas	290.22	J/mol×K	434.56	Calculated Property
Cp,gas	328.83	J/mol×K	515.33	Calculated Property
Cp,gas	362.83	J/mol×K	596.11	Calculated Property
Cp,gas	392.66	J/mol×K	676.89	Calculated Property
Cp,gas	418.78	J/mol×K	757.67	Calculated Property
Cp,gas	441.62	J/mol×K	838.44	Calculated Property
Cp,gas	461.64	J/mol×K	919.22	Calculated Property
Cp,gas	479.29	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0148550; 0.0002173]	Pa×s	[168.94; 418.26]	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			-1.12969e+01
Coefficient B			1.19736e+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.			168.94
Temperature range, max.			418.26
η	0.0148550	Pa×s	168.94	Calculated Property
η	0.0054732	Pa×s	196.64	Calculated Property
η	0.0025805	Pa×s	224.35	Calculated Property
η	0.0014353	Pa×s	252.05	Calculated Property
η	0.0008967	Pa×s	279.75	Calculated Property
η	0.0006098	Pa×s	307.45	Calculated Property
η	0.0004419	Pa×s	335.16	Calculated Property
η	0.0003364	Pa×s	362.86	Calculated Property
η	0.0002662	Pa×s	390.56	Calculated Property
η	0.0002173	Pa×s	418.26	Calculated Property

Similar Compounds

Find more compounds similar to 3,4-Diethylhexa-1,5-diene.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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