Chemical Properties of Chrysene, 4-methyl- (CAS 3351-30-2)

InChI

InChI=1S/C19H14/c1-13-5-4-7-15-10-11-17-16-8-3-2-6-14(16)9-12-18(17)19(13)15/h2-12H,1H3

InChI Key

BLVHWJCLSMYFMT-UHFFFAOYSA-N

Formula

C19H14

SMILES

Cc1cccc2ccc3c4ccccc4ccc3c12

Molecular Weight¹

242.31

CAS

3351-30-2

Other Names

• 4-Methylchrysene

• 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_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (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.
• 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°	512.57	kJ/mol	Joback Calculated Property
ΔfH°gas	339.84	kJ/mol	Joback Calculated Property
ΔfusH°	28.90	kJ/mol	Joback Calculated Property
ΔvapH°	67.07	kJ/mol	Joback Calculated Property
IE	7.44 ± 0.03	eV	NIST
log10WS	-7.36		Crippen Calculated Property
logPoct/wat	5.455		Crippen Calculated Property
McVol	196.430	ml/mol	McGowan Calculated Property
Pc	2448.32	kPa	Joback Calculated Property
Inp	[418.57; 421.25]
Inp	419.50		NIST
Inp	421.10		NIST
Inp	419.63		NIST
Inp	421.25		NIST
Inp	420.83		NIST
Inp	420.74		NIST
Inp	419.60		NIST
Inp	420.91		NIST
Inp	Outlier 418.57		NIST
Inp	419.68		NIST
Inp	420.83		NIST
Inp	420.74		NIST
Inp	420.83		NIST
Tboil	732.68	K	Joback Calculated Property
Tc	990.82	K	Joback Calculated Property
Tfus	465.97	K	Joback Calculated Property
Vc	0.757	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[518.66; 597.11]	J/mol×K	[732.68; 990.82]
Cp,gas	518.66	J/mol×K	732.68	Joback Calculated Property
Cp,gas	533.84	J/mol×K	775.70	Joback Calculated Property
Cp,gas	547.92	J/mol×K	818.73	Joback Calculated Property
Cp,gas	561.09	J/mol×K	861.75	Joback Calculated Property
Cp,gas	573.55	J/mol×K	904.77	Joback Calculated Property
Cp,gas	585.49	J/mol×K	947.80	Joback Calculated Property
Cp,gas	597.11	J/mol×K	990.82	Joback Calculated Property
η	[0.0006851; 0.0016009]	Pa×s	[465.97; 732.68]
η	0.0016009	Pa×s	465.97	Joback Calculated Property
η	0.0013067	Pa×s	510.42	Joback Calculated Property
η	0.0011019	Pa×s	554.87	Joback Calculated Property
η	0.0009529	Pa×s	599.33	Joback Calculated Property
η	0.0008408	Pa×s	643.78	Joback Calculated Property
η	0.0007540	Pa×s	688.23	Joback Calculated Property
η	0.0006851	Pa×s	732.68	Joback Calculated Property
ΔfusH	18.30	kJ/mol	424.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[551.12; 785.50]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.40352e+01
Coefficient B			-5.59509e+03
Coefficient C			-1.44132e+02
Temperature range, min.			551.12
Temperature range, max.			785.50
Pvap	1.33	kPa	551.12	Calculated Property
Pvap	3.05	kPa	577.16	Calculated Property
Pvap	6.34	kPa	603.20	Calculated Property
Pvap	12.20	kPa	629.25	Calculated Property
Pvap	21.96	kPa	655.29	Calculated Property
Pvap	37.33	kPa	681.33	Calculated Property
Pvap	60.43	kPa	707.37	Calculated Property
Pvap	93.73	kPa	733.42	Calculated Property
Pvap	140.09	kPa	759.46	Calculated Property
Pvap	202.65	kPa	785.50	Calculated Property

Similar Compounds

Find more compounds similar to Chrysene, 4-methyl-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.