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

C20D12

SMILES

c1cc2cccc3c4cccc5cccc(c(c1)c23)c54

Molecular Weight¹

264.38

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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	621.88	kJ/mol	Joback Calculated Property
ΔfH°gas	464.81	kJ/mol	Joback Calculated Property
ΔfusH°	31.48	kJ/mol	Joback Calculated Property
ΔvapH°	119.50	kJ/mol	NIST
log10WS	-8.10		Crippen Calculated Property
logPoct/wat	5.737		Crippen Calculated Property
McVol	195.360	ml/mol	McGowan Calculated Property
Pc	2608.40	kPa	Joback Calculated Property
Inp	[442.30; 456.04]
Inp	442.30		NIST
Inp	456.04		NIST
Inp	442.30		NIST
Inp	456.04		NIST
Tboil	766.84	K	Joback Calculated Property
Tc	1030.60	K	Joback Calculated Property
Tfus	516.22	K	Joback Calculated Property
Vc	0.765	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[521.16; 597.00]	J/mol×K	[766.84; 1030.60]
Cp,gas	521.16	J/mol×K	766.84	Joback Calculated Property
Cp,gas	534.69	J/mol×K	810.80	Joback Calculated Property
Cp,gas	547.49	J/mol×K	854.76	Joback Calculated Property
Cp,gas	559.83	J/mol×K	898.72	Joback Calculated Property
Cp,gas	572.01	J/mol×K	942.68	Joback Calculated Property
Cp,gas	584.31	J/mol×K	986.64	Joback Calculated Property
Cp,gas	597.00	J/mol×K	1030.60	Joback Calculated Property
η	[0.0022895; 0.0032474]	Pa×s	[516.22; 766.84]
η	0.0032474	Pa×s	516.22	Joback Calculated Property
η	0.0029976	Pa×s	557.99	Joback Calculated Property
η	0.0027980	Pa×s	599.76	Joback Calculated Property
η	0.0026352	Pa×s	641.53	Joback Calculated Property
η	0.0025002	Pa×s	683.30	Joback Calculated Property
η	0.0023865	Pa×s	725.07	Joback Calculated Property
η	0.0022895	Pa×s	766.84	Joback Calculated Property
ΔvapH	119.51	kJ/mol	298.00	Enthalp...

Similar Compounds

Find more compounds similar to Perylene-D12.

Sources

• 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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