Chemical Properties of Benzene, 1-hexenyl-, (E) (CAS 6111-82-6)

InChI

InChI=1S/C12H16/c1-2-3-4-6-9-12-10-7-5-8-11-12/h5-11H,2-4H2,1H3/b9-6+

InChI Key

KETWBQOXTBGBBN-RMKNXTFCSA-N

Formula

C12H16

SMILES

CCCCC=Cc1ccccc1

Molecular Weight¹

160.26

CAS

6111-82-6

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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.
• 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	0.3898		Relay (1.0) Calculated Property
ΔfG°	242.79	kJ/mol	Joback Calculated Property
ΔfH°gas	63.49	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.08	kJ/mol	Joback Calculated Property
ΔvapH°	58.17	kJ/mol	Relay (1.0) Calculated Property
IE	8.23	eV	Relay (1.0) Calculated Property
log10WS	-4.70		Relay (1.0) Calculated Property
logPoct/wat	3.890		Crippen Calculated Property
McVol	151.880	ml/mol	McGowan Calculated Property
Pc	2532.82	kPa	Joback Calculated Property
Inp	[1308.00; 1308.00]
Inp	1308.00		NIST
Inp	1308.00		NIST
Tboil	498.96	K	Relay (1.0) Calculated Property
Tc	695.89	K	Relay (1.0) Calculated Property
Tfus	226.62	K	Relay (1.0) Calculated Property
Vc	0.564	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[188.79; 489.31]	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			-5.61070e+01
Coefficient B			1.08492e+00
Coefficient C			-7.44000e-04
Coefficient D			2.04500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	188.79	J/mol×K	273.00	Calculated Property
Cp,gas	243.65	J/mol×K	353.78	Calculated Property
Cp,gas	291.64	J/mol×K	434.56	Calculated Property
Cp,gas	333.39	J/mol×K	515.33	Calculated Property
Cp,gas	369.57	J/mol×K	596.11	Calculated Property
Cp,gas	400.80	J/mol×K	676.89	Calculated Property
Cp,gas	427.75	J/mol×K	757.67	Calculated Property
Cp,gas	451.05	J/mol×K	838.44	Calculated Property
Cp,gas	471.36	J/mol×K	919.22	Calculated Property
Cp,gas	489.31	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0035637; 0.0001803]	Pa×s	[246.34; 499.64]	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			-1.15232e+01
Coefficient B			1.45002e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			246.34
Temperature range, max.			499.64
η	0.0035637	Pa×s	246.34	Calculated Property
η	0.0019489	Pa×s	274.48	Calculated Property
η	0.0011924	Pa×s	302.63	Calculated Property
η	0.0007932	Pa×s	330.77	Calculated Property
η	0.0005624	Pa×s	358.92	Calculated Property
η	0.0004193	Pa×s	387.06	Calculated Property
η	0.0003253	Pa×s	415.21	Calculated Property
η	0.0002606	Pa×s	443.35	Calculated Property
η	0.0002144	Pa×s	471.50	Calculated Property
η	0.0001803	Pa×s	499.64	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1-hexenyl-, (E).

Sources

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

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