Chemical Properties of Benzene, 1,1'-(1-ethenyl-1,3-propanediyl)bis- (CAS 61141-97-7)

InChI

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

InChI Key

CNHSYMXTPGADKW-UHFFFAOYSA-N

Formula

C17H18

SMILES

C=CC(CCc1ccccc1)c1ccccc1

Molecular Weight¹

222.32

CAS

61141-97-7

Other Names

• 3,5-Diphenyl-1-pentene

• 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).
• 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
ΔfH°gas	220.75	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	23.07	kJ/mol	Joback Calculated Property
ΔvapH°	81.89	kJ/mol	Relay (1.0) Calculated Property
IE	8.45	eV	Relay (1.0) Calculated Property
log10WS	-4.92		Relay (1.0) Calculated Property
logPoct/wat	4.589		Crippen Calculated Property
McVol	198.570	ml/mol	McGowan Calculated Property
Inp	[1713.60; 1713.60]
Inp	1713.60		NIST
Inp	1713.60		NIST
Inp	1713.60		NIST
Tboil	576.12	K	Relay (1.0) Calculated Property
Tfus	255.52	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[502.65; 596.42]	J/mol×K	[638.16; 873.40]
Cp,gas	502.65	J/mol×K	638.16	Joback Calculated Property
Cp,gas	521.52	J/mol×K	677.37	Joback Calculated Property
Cp,gas	538.97	J/mol×K	716.57	Joback Calculated Property
Cp,gas	555.10	J/mol×K	755.78	Joback Calculated Property
Cp,gas	569.98	J/mol×K	794.98	Joback Calculated Property
Cp,gas	583.72	J/mol×K	834.19	Joback Calculated Property
Cp,gas	596.42	J/mol×K	873.40	Joback Calculated Property
η	[0.0001325; 0.0029069]	Pa×s	[317.43; 638.16]
η	0.0029069	Pa×s	317.43	Joback Calculated Property
η	0.0011989	Pa×s	370.88	Joback Calculated Property
η	0.0006181	Pa×s	424.34	Joback Calculated Property
η	0.0003696	Pa×s	477.79	Joback Calculated Property
η	0.0002451	Pa×s	531.25	Joback Calculated Property
η	0.0001752	Pa×s	584.70	Joback Calculated Property
η	0.0001325	Pa×s	638.16	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1,1'-(1-ethenyl-1,3-propanediyl)bis-.

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

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