Chemical Properties of Perylene-D12 (CAS 1520-96-3)

InChI

InChI=1S/C20H12/c1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-1)19(13)17/h1-12H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D

InChI Key

CSHWQDPOILHKBI-AQZSQYOVSA-N

Formula

C20H12

SMILES

[2H]c1c([2H])c2c([2H])c([2H])c([2H])c3c4c([2H])c([2H])c([2H])c5c([2H])c([2H])c([2H])c(c(c1[2H])c23)c54

Molecular Weight¹

264.39

CAS

1520-96-3

Other Names

• D12-Perylene (ISTD)
• Perylene - d
• Perylene, perdeutero-
• [2H12]Perylene

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	31.48	kJ/mol	Joback Calculated Property
ΔvapH°	119.50	kJ/mol	NIST
logPoct/wat	5.737		Crippen Calculated Property
McVol	195.360	ml/mol	McGowan Calculated Property
Inp	[442.30; 456.04]
Inp	442.30		NIST
Inp	456.04		NIST
Inp	442.30		NIST
Inp	456.04		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[232.42; 588.11]	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			-1.29610e+02
Coefficient B			1.70680e+00
Coefficient C			-1.54668e-03
Coefficient D			5.57600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	232.42	J/mol×K	273.00	Calculated Property
Cp,gas	305.33	J/mol×K	353.78	Calculated Property
Cp,gas	365.77	J/mol×K	434.56	Calculated Property
Cp,gas	415.52	J/mol×K	515.33	Calculated Property
Cp,gas	456.34	J/mol×K	596.11	Calculated Property
Cp,gas	489.98	J/mol×K	676.89	Calculated Property
Cp,gas	518.22	J/mol×K	757.67	Calculated Property
Cp,gas	542.81	J/mol×K	838.44	Calculated Property
Cp,gas	565.52	J/mol×K	919.22	Calculated Property
Cp,gas	588.11	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0034028; 0.0025098]	Pa×s	[516.22; 721.61]	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			-6.75258e+00
Coefficient B			5.52060e+02
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.			516.22
Temperature range, max.			721.61
η	0.0034028	Pa×s	516.22	Calculated Property
η	0.0032522	Pa×s	539.04	Calculated Property
η	0.0031197	Pa×s	561.86	Calculated Property
η	0.0030023	Pa×s	584.68	Calculated Property
η	0.0028977	Pa×s	607.51	Calculated Property
η	0.0028039	Pa×s	630.33	Calculated Property
η	0.0027194	Pa×s	653.15	Calculated Property
η	0.0026429	Pa×s	675.97	Calculated Property
η	0.0025733	Pa×s	698.79	Calculated Property
η	0.0025098	Pa×s	721.61	Calculated Property

Similar Compounds

Find more compounds similar to Perylene-D12.

Sources

• 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
• Enthalpies of Vaporization and Vapor Pressures of Some Deuterated Hydrocarbons. Liquid-Vapor Pressure Isotope Effects
• Joback Method
• McGowan Method
• NIST Webbook

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