Chemical Properties of 1,3,6-Octatriene, E,Z

InChI

InChI=1S/C8H12/c1-3-5-7-8-6-4-2/h3-7H,1,8H2,2H3/b6-4-,7-5+

InChI Key

PKHBEGZTQNOZLP-XGXWUAJZSA-N

Formula

C8H12

SMILES

C=CC=CCC=CC

Molecular Weight¹

108.18

Other Names

• (E,Z)-1,3,6-octatriene

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• I : 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	0.2263		Relay (1.0) Calculated Property
ΔfG°	264.76	kJ/mol	Joback Calculated Property
ΔfH°gas	93.44	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	15.60	kJ/mol	Joback Calculated Property
ΔvapH°	42.85	kJ/mol	Relay (1.0) Calculated Property
IE	8.56	eV	Relay (1.0) Calculated Property
logPoct/wat	2.695		Crippen Calculated Property
McVol	110.680	ml/mol	McGowan Calculated Property
Pc	2953.69	kPa	Joback Calculated Property
Inp	[816.00; 816.00]
Inp	816.00		NIST
Inp	816.00		NIST
I	[1100.00; 1100.00]
I	1100.00		NIST
I	1100.00		NIST
Tboil	391.71	K	Relay (1.0) Calculated Property
Tc	564.71	K	Relay (1.0) Calculated Property
Tfus	213.00	K	Relay (1.0) Calculated Property
Vc	0.401	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[189.09; 252.52]	J/mol×K	[387.64; 572.45]
Cp,gas	189.09	J/mol×K	387.64	Joback Calculated Property
Cp,gas	201.23	J/mol×K	418.44	Joback Calculated Property
Cp,gas	212.70	J/mol×K	449.24	Joback Calculated Property
Cp,gas	223.53	J/mol×K	480.05	Joback Calculated Property
Cp,gas	233.76	J/mol×K	510.85	Joback Calculated Property
Cp,gas	243.41	J/mol×K	541.65	Joback Calculated Property
Cp,gas	252.52	J/mol×K	572.45	Joback Calculated Property
η	[0.0001614; 0.0039890]	Pa×s	[168.00; 387.64]
η	0.0039890	Pa×s	168.00	Joback Calculated Property
η	0.0014488	Pa×s	204.61	Joback Calculated Property
η	0.0007156	Pa×s	241.21	Joback Calculated Property
η	0.0004256	Pa×s	277.82	Joback Calculated Property
η	0.0002857	Pa×s	314.43	Joback Calculated Property
η	0.0002084	Pa×s	351.03	Joback Calculated Property
η	0.0001614	Pa×s	387.64	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,3,6-Octatriene, E,Z.

Sources

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

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