(E)-Stilbene (CAS 103-30-0)

InChI

InChI=1S/C14H12/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-12H/b12-11+

InChI Key

PJANXHGTPQOBST-VAWYXSNFSA-N

Formula

C14H12

SMILES

C(=Cc1ccccc1)c1ccccc1

Molecular Weight¹

180.25

CAS

103-30-0

Other Names

(1,2-Ethenediyl)-1,1'-bisbenzene, (E)-
(E)-1,1'-(1,2-Ethenediyl)bisbenzene
(E)-1,2-Diphenylethylene
(E)-1,2-diphenylethene
1,1'-(1,2-Ethanediyl)bis(benzene), (E)-
1,1'-(1,2-Ethanediyl)bis[benzene], trans
1,2-Diphenylethene, (E)-
1,2-Diphenylethylene (trans)
1,trans-2-Diphenylethene
1,trans-2-Diphenylethylene
Benzene, 1,1'-(1E)-1,2-ethenediylbis-
Dibenzal, (E)-
Dibenzylidne, (E)-
NSC 2069
Stilbene (trans)
Stilbene, (E)-
TRANS-1,2-DIPHENYLETHTNE
Toluylene
benzene, 1,1'-(1,2-ethenediyl)bis-, (E)-
ethene, 1,2-diphenyl-, trans-
t-Stilbene
trans-.alpha.,.beta.-diphenylethylene
trans-1,2-Diphenylethylene
trans-1,2-diphenylethene
trans-Bibenzal
trans-Bibenzylidene
trans-Diphenylethene
trans-stilbene
trans-«alpha»,«beta»-Diphenylethylene

ω : Acentric Factor.
Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
C_p,gas : Ideal gas heat capacity (J/mol×K).
C_p,liquid : Liquid phase heat capacity (J/mol×K).
C_p,solid : Solid phase heat capacity (J/mol×K).
η : Dynamic viscosity (Pa×s).
EA : Electron affinity (eV).
Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
Δ_subH : Enthalpy of sublimation at a given temperature (kJ/mol).
Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
Δ_vapH : Enthalpy of vaporization at a given temperature (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).
P_vap : Vapor pressure (kPa).
I_np : Non-polar retention indices.
I : Polar retention indices.
Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
S°_{solid,1 bar} : Solid phase molar entropy at standard conditions (J/mol×K).
T_boil : Normal Boiling Point Temperature (K).
T_boilr : Boiling point at reduced pressure (K).
T_c : Critical Temperature (K).
T_fus : Normal melting (fusion) point (K).
T_triple : Triple Point Temperature (K).
V_c : Critical Volume (m³/kmol).
¹: Molecular weight from the IUPAC atomic weights tables.

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Physical Properties

Property	Value	Unit	Source
ω	0.3800		Relay (1.0) Calculated Property
Δ_cH°_liquid	-7360.99 ± 0.50	kJ/mol	NIST
Δ_cH°_solid	[-7364.60; -7357.10]	kJ/mol
Δ_cH°_solid	-7357.10 ± 0.80	kJ/mol	NIST
Δ_cH°_solid	-7360.80 ± 3.90	kJ/mol	NIST
Δ_cH°_solid	-7364.60 ± 1.00	kJ/mol	NIST
Δ_cH°_solid	-7361.90 ± 2.80	kJ/mol	NIST
EA	[0.39; 0.39]	eV
EA	0.39 ± 0.02	eV	NIST
EA	0.39 ± 0.06	eV	NIST
Δ_fG°	372.04	kJ/mol	Joback Calculated Property
Δ_fH°_gas	[219.60; 224.40]	kJ/mol
Δ_fH°_gas	219.60	kJ/mol	NIST
Δ_fH°_gas	223.30	kJ/mol	NIST
Δ_fH°_gas	224.40	kJ/mol	NIST
Δ_fH°_solid	[133.00; 137.80]	kJ/mol
Δ_fH°_solid	133.00 ± 0.80	kJ/mol	NIST
Δ_fH°_solid	136.70	kJ/mol	NIST
Δ_fH°_solid	137.80 ± 2.80	kJ/mol	NIST
Δ_fusH°	20.30	kJ/mol	Joback Calculated Property
Δ_subH°	[86.60; 102.00]	kJ/mol
Δ_subH°	102.00 ± 0.40	kJ/mol	NIST
Δ_subH°	102.00	kJ/mol	NIST
Δ_subH°	100.70 ± 0.40	kJ/mol	NIST
Δ_subH°	99.60 ± 1.70	kJ/mol	NIST
Δ_subH°	99.20 ± 0.40	kJ/mol	NIST
Δ_subH°	Outlier 86.60	kJ/mol	NIST
Δ_vapH°	[79.60; 79.80]	kJ/mol
Δ_vapH°	79.70	kJ/mol	NIST
Δ_vapH°	79.80	kJ/mol	NIST
Δ_vapH°	79.60	kJ/mol	NIST
IE	[7.66; 7.91]	eV
IE	7.66 ± 0.00	eV	NIST
IE	7.66 ± 0.00	eV	NIST
IE	7.70 ± 0.02	eV	NIST
IE	7.70 ± 0.03	eV	NIST
IE	7.76	eV	NIST
IE	7.87	eV	NIST
IE	7.90 ± 0.05	eV	NIST
IE	7.91 ± 0.05	eV	NIST
log₁₀WS	-4.87		Relay (1.0) Calculated Property
logP_oct/wat	3.857		Crippen Calculated Property
McVol	156.300	ml/mol	McGowan Calculated Property
P_c	2928.17	kPa	Joback Calculated Property
I_np	[1686.00; 1755.00]
I_np	1755.00		NIST
I_np	1686.00		NIST
I_np	1755.00		NIST
I_np	1686.00		NIST
I_np	1755.00		NIST
I	[2536.00; 2547.00]
I	2547.00		NIST
I	2536.00		NIST
I	2547.00		NIST
I	2536.00		NIST
S°_{solid,1 bar}	247.00	J/mol×K	NIST
T_boil	579.55 ± 0.50	K	NIST
T_c	802.76	K	Relay (1.0) Calculated Property
T_fus	[394.00; 397.60]	K
T_fus	397.35	K	KDB
T_fus	397.00 ± 2.00	K	NIST
T_fus	397.00 ± 1.50	K	NIST
T_fus	395.15 ± 2.00	K	NIST
T_fus	Outlier 394.00 ± 2.00	K	NIST
T_fus	397.60 ± 0.40	K	NIST
T_fus	397.00 ± 1.00	K	NIST
T_fus	397.00 ± 1.00	K	NIST
T_triple	[397.40; 398.00]	K
T_triple	397.40 ± 0.02	K	NIST
T_triple	398.00 ± 0.50	K	NIST
V_c	0.579	m³/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
C_p,gas	[352.90; 436.59]	J/mol×K	[577.44; 828.44]

C_p,gas	352.90	J/mol×K	577.44	Joback Calculated Property
C_p,gas	370.08	J/mol×K	619.27	Joback Calculated Property
C_p,gas	385.82	J/mol×K	661.11	Joback Calculated Property
C_p,gas	400.23	J/mol×K	702.94	Joback Calculated Property
C_p,gas	413.42	J/mol×K	744.77	Joback Calculated Property
C_p,gas	425.50	J/mol×K	786.61	Joback Calculated Property
C_p,gas	436.59	J/mol×K	828.44	Joback Calculated Property
C_p,liquid	[353.00; 419.00]	J/mol×K	[400.00; 550.00]

C_p,liquid	353.00	J/mol×K	400.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
C_p,liquid	357.00	J/mol×K	410.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
C_p,liquid	361.00	J/mol×K	420.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
C_p,liquid	364.00	J/mol×K	430.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
C_p,liquid	368.00	J/mol×K	440.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
C_p,liquid	372.00	J/mol×K	450.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
C_p,liquid	377.00	J/mol×K	460.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
C_p,liquid	381.00	J/mol×K	470.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
C_p,liquid	385.00	J/mol×K	480.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
C_p,liquid	390.00	J/mol×K	490.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
C_p,liquid	394.00	J/mol×K	500.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
C_p,liquid	399.00	J/mol×K	510.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
C_p,liquid	404.00	J/mol×K	520.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
C_p,liquid	409.00	J/mol×K	530.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
C_p,liquid	414.00	J/mol×K	540.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
C_p,liquid	419.00	J/mol×K	550.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
C_p,solid	[235.00; 251.08]	J/mol×K	[298.15; 320.00]
C_p,solid	235.00	J/mol×K	298.15	NIST
C_p,solid	251.08	J/mol×K	320.00	NIST
η	[0.0001519; 0.0024141]	Pa×s	[295.30; 577.44]

η	0.0024141	Pa×s	295.30	Joback Calculated Property
η	0.0011092	Pa×s	342.32	Joback Calculated Property
η	0.0006150	Pa×s	389.35	Joback Calculated Property
η	0.0003872	Pa×s	436.37	Joback Calculated Property
η	0.0002667	Pa×s	483.39	Joback Calculated Property
η	0.0001963	Pa×s	530.42	Joback Calculated Property
η	0.0001519	Pa×s	577.44	Joback Calculated Property
Δ_fusH	[27.37; 27.70]	kJ/mol	[397.40; 398.20]
Δ_fusH	27.70	kJ/mol	397.40	NIST
Δ_fusH	27.37	kJ/mol	398.00	NIST
Δ_fusH	27.40	kJ/mol	398.20	NIST
Δ_fusH	27.40	kJ/mol	398.20	NIST
Δ_subH	[86.50; 103.80]	kJ/mol	[309.00; 329.00]
Δ_subH	86.50 ± 0.10	kJ/mol	309.00	NIST
Δ_subH	103.80 ± 2.50	kJ/mol	315.50	NIST
Δ_subH	99.60	kJ/mol	320.50	NIST
Δ_subH	90.80 ± 0.80	kJ/mol	329.00	NIST
Δ_vapH	[65.50; 102.80]	kJ/mol	[298.15; 499.50]
Δ_vapH	102.80	kJ/mol	298.15	Solution calorimetry as a complementary tool for the determination of enthalpies of vaporization and sublimation of low volatile compounds at 298.15 K
Δ_vapH	65.50	kJ/mol	499.50	NIST
Δ_fusS	68.80	J/mol×K	398.00	NIST

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
T_boilr	[439.70; 579.20]	K	[1.60; 99.20]
T_boilr	439.70	K	1.60	NIST
T_boilr	579.20	K	99.20	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
P_vap	[1.33; 202.64]	kPa	[434.08; 615.63]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.44500e+01
Coefficient B			-4.67696e+03
Coefficient C			-1.03848e+02
Temperature range, min.			434.08
Temperature range, max.			615.63

P_vap	1.33	kPa	434.08	Calculated Property
P_vap	3.01	kPa	454.25	Calculated Property
P_vap	6.23	kPa	474.42	Calculated Property
P_vap	11.95	kPa	494.60	Calculated Property
P_vap	21.51	kPa	514.77	Calculated Property
P_vap	36.63	kPa	534.94	Calculated Property
P_vap	59.50	kPa	555.11	Calculated Property
P_vap	92.70	kPa	575.29	Calculated Property
P_vap	139.28	kPa	595.46	Calculated Property
P_vap	202.64	kPa	615.63	Calculated Property
P_vap	[0.23; 2686.24]	kPa	[397.35; 820.00]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + Cln(T) + DT^2
Coefficient A			9.19966e+01
Coefficient B			-1.21896e+04
Coefficient C			-1.05568e+01
Coefficient D			2.37022e-06
Temperature range, min.			397.35
Temperature range, max.			820.00

P_vap	0.23	kPa	397.35	Calculated Property
P_vap	1.95	kPa	444.31	Calculated Property
P_vap	10.34	kPa	491.27	Calculated Property
P_vap	38.52	kPa	538.23	Calculated Property
P_vap	111.12	kPa	585.19	Calculated Property
P_vap	264.72	kPa	632.16	Calculated Property
P_vap	545.41	kPa	679.12	Calculated Property
P_vap	1005.26	kPa	726.08	Calculated Property
P_vap	1699.54	kPa	773.04	Calculated Property
P_vap	2686.24	kPa	820.00	Calculated Property

Similar Compounds

Tricyclo[8.2.2.2(4,7)]hexadeca-2,4,6,8,10,12,13,15-octaene.

1-Phenyl-2-(3-phenathryl)ethylene, trans.

1-Phenyl-2-(2-benzo[c]phenathryl)ethylene, trans.

Pentacyclo[10.4.4.4<sup>4,9</sup>.0<sup>6,22</sup>.0<sup>15,19</sup>-]tetracosa-2,4,6,8,10,12,14,16,17,19,21,23-dodecane.

1,2-bis-(2-Tetrahelicenyl)ethylene, cis.

1-(2-Naphthyl)-2-(3-phenathryl)ethylene, trans.

Find more compounds similar to (E)-Stilbene.

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