Chemical Properties of Anthracene photodimer (CAS 1627-06-1)

InChI

InChI=1S/C28H20/c1-2-10-18-17(9-1)25-19-11-3-4-12-20(19)26(18)28-23-15-7-5-13-21(23)27(25)22-14-6-8-16-24(22)28/h1-16,25-28H

InChI Key

JUTIJVADGQDBGY-UHFFFAOYSA-N

Formula

C28H20

SMILES

c1ccc2c(c1)C1c3ccccc3C2C2c3ccccc3C1c1ccccc12

Molecular Weight¹

356.46

CAS

1627-06-1

Other Names

• Anthracene, dimer
• Dianthracene
• 5,12:6,11-Di-o-benzenodibenzo(a,e)cyclooctene, 5,6,11,12-tetrahydro-
• 5,12(1',2'):6,11(1'',2'')-Dibenzenodibenzo(a,e)cyclooctene, 5,6,11,12-tetrahydro-

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• 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_fH°_solid : Solid phase 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°solid	[-14183.00; -14169.00]	kJ/mol
ΔcH°solid	-14183.00	kJ/mol	NIST
ΔcH°solid	-14169.00	kJ/mol	NIST
ΔfH°gas	411.40	kJ/mol	Relay (1.0) Calculated Property
ΔfH°solid	306.00	kJ/mol	NIST
ΔfusH°	48.86	kJ/mol	Joback Calculated Property
ΔvapH°	146.80	kJ/mol	Relay (1.0) Calculated Property
IE	7.85	eV	Relay (1.0) Calculated Property
logPoct/wat	6.555		Crippen Calculated Property
McVol	277.760	ml/mol	McGowan Calculated Property
Tfus	614.74	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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	[337.04; 914.59]	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			-2.20170e+02
Coefficient B			2.58440e+00
Coefficient C			-2.19324e-03
Coefficient D			7.43600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	337.04	J/mol×K	273.00	Calculated Property
Cp,gas	452.56	J/mol×K	353.78	Calculated Property
Cp,gas	549.75	J/mol×K	434.56	Calculated Property
Cp,gas	630.97	J/mol×K	515.33	Calculated Property
Cp,gas	698.57	J/mol×K	596.11	Calculated Property
Cp,gas	754.90	J/mol×K	676.89	Calculated Property
Cp,gas	802.32	J/mol×K	757.67	Calculated Property
Cp,gas	843.17	J/mol×K	838.44	Calculated Property
Cp,gas	879.81	J/mol×K	919.22	Calculated Property
Cp,gas	914.59	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0144615; 0.0143777]	Pa×s	[628.26; 860.94]	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			-4.25776e+00
Coefficient B			1.35000e+01
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			628.26
Temperature range, max.			860.94
η	0.0144615	Pa×s	628.26	Calculated Property
η	0.0144492	Pa×s	654.11	Calculated Property
η	0.0144379	Pa×s	679.97	Calculated Property
η	0.0144274	Pa×s	705.82	Calculated Property
η	0.0144176	Pa×s	731.67	Calculated Property
η	0.0144085	Pa×s	757.52	Calculated Property
η	0.0144001	Pa×s	783.38	Calculated Property
η	0.0143921	Pa×s	809.23	Calculated Property
η	0.0143847	Pa×s	835.08	Calculated Property
η	0.0143777	Pa×s	860.94	Calculated Property

Similar Compounds

Find more compounds similar to Anthracene photodimer.

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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