Chemical Properties of Bibenzyl (CAS 103-29-7)

InChI

InChI=1S/C14H14/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-10H,11-12H2

InChI Key

QWUWMCYKGHVNAV-UHFFFAOYSA-N

Formula

C14H14

SMILES

c1ccc(CCc2ccccc2)cc1

Molecular Weight¹

182.26

CAS

103-29-7

Other Names

• 1,2-Diphenylethane
• 1,2-Diphenylethane(sym)
• 1,2-Diphenylethane, s
• 2-phenylethylbenzene
• Benzene, (phenylethyl)-
• Benzene, 1,1'-(1,2-ethanediyl)bis-
• DIBENZIL
• DIHYDROSTILBENE
• Dibenzyl
• Ethane, 1,2-diphenyl-
• NSC 30686
• s-Diphenylethane
• sym-Diphenylethane

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• 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,solid : Solid phase 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_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_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.

Physical Properties

Property	Value	Unit	Source
PAff	801.80	kJ/mol	NIST
BasG	774.10	kJ/mol	NIST
ΔcH°liquid	-7562.60 ± 7.50	kJ/mol	NIST
ΔcH°solid	[-7594.40; -7280.00]	kJ/mol
ΔcH°solid	-7561.50 ± 1.10	kJ/mol	NIST
ΔcH°solid	-7559.60 ± 1.00	kJ/mol	NIST
ΔcH°solid	-7280.00	kJ/mol	NIST
ΔcH°solid	-7594.40	kJ/mol	NIST
ΔcH°solid	-7554.80 ± 3.00	kJ/mol	NIST
ΔfG°	291.82	kJ/mol	Joback Calculated Property
ΔfH°gas	[129.00; 135.60]	kJ/mol
ΔfH°gas	135.60 ± 1.30	kJ/mol	NIST
ΔfH°gas	129.00	kJ/mol	NIST
ΔfH°solid	[44.90; 51.50]	kJ/mol
ΔfH°solid	51.50 ± 1.30	kJ/mol	NIST
ΔfH°solid	44.90 ± 3.10	kJ/mol	NIST
ΔfusH°	20.10	kJ/mol	Joback Calculated Property
ΔsubH°	[73.20; 91.50]	kJ/mol
ΔsubH°	91.50 ± 0.70	kJ/mol	NIST
ΔsubH°	91.38 ± 0.46	kJ/mol	NIST
ΔsubH°	91.40 ± 0.50	kJ/mol	NIST
ΔsubH°	84.10	kJ/mol	NIST
ΔsubH°	73.20 ± 0.80	kJ/mol	NIST
ΔvapH°	51.31	kJ/mol	Joback Calculated Property
IE	[8.70; 9.10]	eV
IE	9.00 ± 0.05	eV	NIST
IE	8.70 ± 0.10	eV	NIST
IE	9.10	eV	NIST
log10WS	[-4.62; -4.62]
log10WS	-4.62		Aq. Sol...
log10WS	-4.62		Estimat...
logPoct/wat	3.472		Crippen Calculated Property
McVol	160.600	ml/mol	McGowan Calculated Property
Pc	2770.08	kPa	Joback Calculated Property
Inp	[258.90; 1563.00]
Inp	1496.70		NIST
Inp	1509.30		NIST
Inp	1546.30		NIST
Inp	1539.00		NIST
Inp	1541.00		NIST
Inp	1563.00		NIST
Inp	1508.80		NIST
Inp	1519.20		NIST
Inp	1524.30		NIST
Inp	1508.80		NIST
Inp	1519.20		NIST
Inp	1524.30		NIST
Inp	1528.00		NIST
Inp	1525.00		NIST
Inp	1494.00		NIST
Inp	1516.00		NIST
Inp	1489.00		NIST
Inp	1487.00		NIST
Inp	260.40		NIST
Inp	260.13		NIST
Inp	260.49		NIST
Inp	258.90		NIST
Inp	260.10		NIST
Inp	260.10		NIST
Inp	1508.80		NIST
Inp	1524.30		NIST
I	[2061.00; 2072.00]
I	2069.00		NIST
I	2072.00		NIST
I	2070.00		NIST
I	2061.00		NIST
I	2061.00		NIST
S°solid,1 bar	[267.39; 270.30]	J/mol×K
S°solid,1 bar	267.39	J/mol×K	NIST
S°solid,1 bar	270.30	J/mol×K	NIST
Tboil	573.08	K	Joback Calculated Property
Tc	812.67	K	Joback Calculated Property
Tfus	[324.95; 325.77]	K
Tfus	324.95	K	KDB
Tfus	325.77	K	Aq. Sol...
Ttriple	324.34 ± 0.01	K	NIST
Vc	0.604	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[372.34; 460.35]	J/mol×K	[573.08; 812.67]
T(K) Ideal gas heat capacity (J/mol×K) 380 400 420 440 460 600 700 800
Cp,gas	372.34	J/mol×K	573.08	Joback Calculated Property
Cp,gas	390.10	J/mol×K	613.01	Joback Calculated Property
Cp,gas	406.52	J/mol×K	652.94	Joback Calculated Property
Cp,gas	421.67	J/mol×K	692.87	Joback Calculated Property
Cp,gas	435.64	J/mol×K	732.81	Joback Calculated Property
Cp,gas	448.51	J/mol×K	772.74	Joback Calculated Property
Cp,gas	460.35	J/mol×K	812.67	Joback Calculated Property
Cp,solid	[251.00; 320.10]	J/mol×K	[293.60; 330.00]
T(K) Solid phase heat capacity (J/mol×K) 250 260 270 280 290 300 310 320 300 310 320 330
Cp,solid	251.00	J/mol×K	293.60	NIST
Cp,solid	251.90	J/mol×K	298.10	NIST
Cp,solid	253.76	J/mol×K	298.15	NIST
Cp,solid	253.60	J/mol×K	298.50	NIST
Cp,solid	257.00	J/mol×K	303.00	NIST
Cp,solid	320.10	J/mol×K	330.00	NIST
η	[0.0001783; 0.0026164]	Pa×s	[300.38; 573.08]
T(K) Dynamic viscosity (Pa×s) 0 5.00e-4 1.00e-3 1.50e-3 2.00e-3 2.50e-3 300 400 500
η	0.0026164	Pa×s	300.38	Joback Calculated Property
η	0.0012460	Pa×s	345.83	Joback Calculated Property
η	0.0007050	Pa×s	391.28	Joback Calculated Property
η	0.0004491	Pa×s	436.73	Joback Calculated Property
η	0.0003115	Pa×s	482.18	Joback Calculated Property
η	0.0002301	Pa×s	527.63	Joback Calculated Property
η	0.0001783	Pa×s	573.08	Joback Calculated Property
ΔfusH	[2.25; 23.01]	kJ/mol	[273.20; 324.40]
T(K) Enthalpy of fusion at a given temperature (kJ/mol) 5 10 15 20 25 280 300 320
ΔfusH	2.25	kJ/mol	273.20	NIST
ΔfusH	22.73	kJ/mol	324.30	NIST
ΔfusH	22.57	kJ/mol	324.30	NIST
ΔfusH	22.73	kJ/mol	324.30	NIST
ΔfusH	23.01	kJ/mol	324.40	NIST
ΔsubH	[72.40; 92.90]	kJ/mol	[295.50; 326.20]
T(K) Enthalpy of sublimation at a given temperature (kJ/mol) 75 80 85 90 300 310 320
ΔsubH	91.20 ± 0.40	kJ/mol	295.50	NIST
ΔsubH	84.10 ± 0.40	kJ/mol	296.50	NIST
ΔsubH	72.40 ± 1.30	kJ/mol	303.50	NIST
ΔsubH	92.90	kJ/mol	308.00	NIST
ΔsubH	83.97 ± 0.46	kJ/mol	326.20	NIST
ΔvapH	[57.00; 67.53]	kJ/mol	[324.40; 458.00]
T(K) Enthalpy of vaporization at a given temperature (kJ/mol) 56 58 60 62 64 66 68 350 400 450
ΔvapH	67.53 ± 0.10	kJ/mol	324.40	NIST
ΔvapH	66.20 ± 0.20	kJ/mol	340.00	NIST
ΔvapH	64.10	kJ/mol	373.00	NIST
ΔvapH	67.40	kJ/mol	398.00	NIST
ΔvapH	57.00	kJ/mol	458.00	NIST
ΔfusS	[8.23; 70.90]	J/mol×K	[273.20; 324.40]
ΔfusS	8.23	J/mol×K	273.20	NIST
ΔfusS	70.09	J/mol×K	324.30	NIST
ΔfusS	70.90	J/mol×K	324.40	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[410.70; 591.81]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.46161e+01
Coefficient B			-4.80619e+03
Coefficient C			-7.52760e+01
Temperature range, min.			410.70
Temperature range, max.			591.81
T(K) Vapor pressure (kPa) 0 50 100 150 200 450 500 550
Pvap	1.33	kPa	410.70	Calculated Property
Pvap	3.00	kPa	430.82	Calculated Property
Pvap	6.19	kPa	450.95	Calculated Property
Pvap	11.86	kPa	471.07	Calculated Property
Pvap	21.34	kPa	491.19	Calculated Property
Pvap	36.37	kPa	511.32	Calculated Property
Pvap	59.15	kPa	531.44	Calculated Property
Pvap	92.32	kPa	551.56	Calculated Property
Pvap	138.97	kPa	571.69	Calculated Property
Pvap	202.65	kPa	591.81	Calculated Property
Pvap	[9.53e-03; 2719.16]	kPa	[324.34; 780.00]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			1.13283e+02
Coefficient B			-1.22009e+04
Coefficient C			-1.39952e+01
Coefficient D			5.69580e-06
Temperature range, min.			324.34
Temperature range, max.			780.00
T(K) Vapor pressure (kPa) 0 500 1000 1500 2000 2500 400 500 600 700
Pvap	9.53e-03	kPa	324.34	Calculated Property
Pvap	0.25	kPa	374.97	Calculated Property
Pvap	2.53	kPa	425.60	Calculated Property
Pvap	14.32	kPa	476.23	Calculated Property
Pvap	54.56	kPa	526.86	Calculated Property
Pvap	158.20	kPa	577.48	Calculated Property
Pvap	379.31	kPa	628.11	Calculated Property
Pvap	795.72	kPa	678.74	Calculated Property
Pvap	1519.68	kPa	729.37	Calculated Property
Pvap	2719.16	kPa	780.00	Calculated Property

Similar Compounds

Find more compounds similar to Bibenzyl.

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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