Chemical Properties of Benzene, 1,1'-[1-(2-propenyl)-1,2-ethanediyl]bis- (CAS 5729-55-5)

InChI

InChI=1S/C17H18/c1-2-9-17(16-12-7-4-8-13-16)14-15-10-5-3-6-11-15/h2-8,10-13,17H,1,9,14H2

InChI Key

VLBDGUDFCZLMFW-UHFFFAOYSA-N

Formula

C17H18

SMILES

C=CCC(Cc1ccccc1)c1ccccc1

Molecular Weight¹

222.32

CAS

5729-55-5

Other Names

• 4,5-diphenyl-1-pentene

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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	0.4333		Relay (1.0) Calculated Property
ΔfH°gas	209.45	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	23.07	kJ/mol	Joback Calculated Property
ΔvapH°	76.42	kJ/mol	Relay (1.0) Calculated Property
IE	8.39	eV	Relay (1.0) Calculated Property
log10WS	-5.07		Relay (1.0) Calculated Property
logPoct/wat	4.589		Crippen Calculated Property
McVol	198.570	ml/mol	McGowan Calculated Property
Pc	2187.68	kPa	Joback Calculated Property
Inp	[1678.50; 1678.50]
Inp	1678.50		NIST
Inp	1678.50		NIST
Tboil	582.74	K	Relay (1.0) Calculated Property
Tc	810.84	K	Relay (1.0) Calculated Property
Tfus	269.11	K	Relay (1.0) Calculated Property
Vc	0.700	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[241.48; 631.35]	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			-8.50480e+01
Coefficient B			1.44690e+00
Coefficient C			-9.89500e-04
Coefficient D			2.59000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	241.48	J/mol×K	273.00	Calculated Property
Cp,gas	314.46	J/mol×K	353.78	Calculated Property
Cp,gas	378.11	J/mol×K	434.56	Calculated Property
Cp,gas	433.25	J/mol×K	515.33	Calculated Property
Cp,gas	480.71	J/mol×K	596.11	Calculated Property
Cp,gas	521.30	J/mol×K	676.89	Calculated Property
Cp,gas	555.84	J/mol×K	757.67	Calculated Property
Cp,gas	585.15	J/mol×K	838.44	Calculated Property
Cp,gas	610.05	J/mol×K	919.22	Calculated Property
Cp,gas	631.35	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0029069; 0.0001515]	Pa×s	[317.43; 611.38]	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			-1.19858e+01
Coefficient B			1.95066e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			317.43
Temperature range, max.			611.38
η	0.0029069	Pa×s	317.43	Calculated Property
η	0.0016385	Pa×s	350.09	Calculated Property
η	0.0010185	Pa×s	382.75	Calculated Property
η	0.0006822	Pa×s	415.41	Calculated Property
η	0.0004845	Pa×s	448.07	Calculated Property
η	0.0003604	Pa×s	480.73	Calculated Property
η	0.0002784	Pa×s	513.40	Calculated Property
η	0.0002218	Pa×s	546.06	Calculated Property
η	0.0001813	Pa×s	578.72	Calculated Property
η	0.0001515	Pa×s	611.38	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1,1'-[1-(2-propenyl)-1,2-ethanediyl]bis-.

Sources

• Cheméo Relay (1.0)
• 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.
These property values are available through the Cheméo API. A free account gives you an access key.