Chemical Properties of 1,3-diphenyl-1-propene (CAS 5209-18-7)

InChI

InChI=1S/C15H14/c1-3-8-14(9-4-1)12-7-13-15-10-5-2-6-11-15/h1-12H,13H2

InChI Key

AIMDYNJRXHEXEL-UHFFFAOYSA-N

Formula

C15H14

SMILES

C(=Cc1ccccc1)Cc1ccccc1

Molecular Weight¹

194.28

CAS

5209-18-7

Other Names

• Benzene, 1,1'-(1-propene-1,3-diyl)bis-

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_vap : Vapor pressure (kPa).
• 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	268.03	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	22.89	kJ/mol	Joback Calculated Property
ΔvapH°	79.91	kJ/mol	Relay (1.0) Calculated Property
IE	8.15	eV	Relay (1.0) Calculated Property
logPoct/wat	3.942		Crippen Calculated Property
McVol	170.390	ml/mol	McGowan Calculated Property
Inp	1651.90		NIST
Tboil	586.00 ± 6.00	K	NIST
Tfus	[285.00; 428.15]	K
Tfus	428.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	285.00 ± 2.00	K	NIST

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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	[195.17; 525.56]	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			-9.27390e+01
Coefficient B			1.29100e+00
Coefficient C			-9.38400e-04
Coefficient D			2.65700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	195.17	J/mol×K	273.00	Calculated Property
Cp,gas	258.30	J/mol×K	353.78	Calculated Property
Cp,gas	312.87	J/mol×K	434.56	Calculated Property
Cp,gas	359.71	J/mol×K	515.33	Calculated Property
Cp,gas	399.66	J/mol×K	596.11	Calculated Property
Cp,gas	433.57	J/mol×K	676.89	Calculated Property
Cp,gas	462.28	J/mol×K	757.67	Calculated Property
Cp,gas	486.62	J/mol×K	838.44	Calculated Property
Cp,gas	507.43	J/mol×K	919.22	Calculated Property
Cp,gas	525.56	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010497; 0.0001464]	Pa×s	[356.57; 592.08]	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			-1.18117e+01
Coefficient B			1.76592e+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.			356.57
Temperature range, max.			592.08
η	0.0010497	Pa×s	356.57	Calculated Property
η	0.0007482	Pa×s	382.74	Calculated Property
η	0.0005569	Pa×s	408.91	Calculated Property
η	0.0004295	Pa×s	435.08	Calculated Property
η	0.0003412	Pa×s	461.24	Calculated Property
η	0.0002778	Pa×s	487.41	Calculated Property
η	0.0002310	Pa×s	513.58	Calculated Property
η	0.0001955	Pa×s	539.74	Calculated Property
η	0.0001681	Pa×s	565.91	Calculated Property
η	0.0001464	Pa×s	592.08	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[428.12; 626.60]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.35903e+01
Coefficient B			-4.35101e+03
Coefficient C			-1.01042e+02
Temperature range, min.			428.12
Temperature range, max.			626.60
Pvap	1.33	kPa	428.12	Calculated Property
Pvap	3.09	kPa	450.17	Calculated Property
Pvap	6.48	kPa	472.23	Calculated Property
Pvap	12.50	kPa	494.28	Calculated Property
Pvap	22.49	kPa	516.33	Calculated Property
Pvap	38.15	kPa	538.39	Calculated Property
Pvap	61.51	kPa	560.44	Calculated Property
Pvap	94.91	kPa	582.49	Calculated Property
Pvap	141.01	kPa	604.55	Calculated Property
Pvap	202.64	kPa	626.60	Calculated Property

Similar Compounds

Find more compounds similar to 1,3-diphenyl-1-propene.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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
• The Yaws Handbook of Vapor Pressure

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