Chemical Properties of Pyrene (CAS 129-00-0)

InChI

InChI=1S/C16H10/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h1-10H

InChI Key

BBEAQIROQSPTKN-UHFFFAOYSA-N

Formula

C16H10

SMILES

c1cc2ccc3cccc4ccc(c1)c2c34

Molecular Weight¹

202.25

CAS

129-00-0

Other Names

• BENZOPHENANTHRENE
• BETA-PYRENE
• Benzo[def]phenanthrene
• Coal tar pitch volatiles:pyrene
• Pyren
• benzo(def)phenanthrene
• «beta»-Pyrene

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• C_p,solid : Solid phase heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• EA : Electron affinity (eV).
• 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_sub : Sublimation pressure (kPa).
• P_vap : Vapor pressure (kPa).
• ρ_l : Liquid Density (kg/m³).
• 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).
• Z_c : Critical Compressibility.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.5177		Relay (1.0) Calculated Property
PAff	[867.80; 869.20]	kJ/mol
PAff	869.20	kJ/mol	NIST
PAff	867.80	kJ/mol	NIST
BasG	[840.10; 841.80]	kJ/mol
BasG	840.10	kJ/mol	NIST
BasG	841.80	kJ/mol	NIST
ΔcH°solid	[-7850.70; -7840.00]	kJ/mol
ΔcH°solid	-7850.70 ± 1.00	kJ/mol	NIST
ΔcH°solid	-7840.10 ± 0.40	kJ/mol	NIST
ΔcH°solid	-7840.00 ± 3.50	kJ/mol	NIST
EA	[0.39; 0.59]	eV
EA	0.41 ± 0.01	eV	NIST
EA	0.39	eV	NIST
EA	0.50 ± 0.03	eV	NIST
EA	0.59 ± 0.01	eV	NIST
ΔfG°	491.18	kJ/mol	Joback Calculated Property
ΔfH°gas	[214.90; 225.70]	kJ/mol
ΔfH°gas	225.50 ± 2.50	kJ/mol	NIST
ΔfH°gas	225.70 ± 1.30	kJ/mol	NIST
ΔfH°gas	214.90	kJ/mol	NIST
ΔfH°gas	214.90	kJ/mol	NIST
ΔfH°solid	[114.70; 125.50]	kJ/mol
ΔfH°solid	125.20 ± 2.30	kJ/mol	NIST
ΔfH°solid	125.50 ± 1.20	kJ/mol	NIST
ΔfH°solid	114.70 ± 0.40	kJ/mol	NIST
ΔfH°solid	114.70 ± 3.60	kJ/mol	NIST
ΔfusH°	24.49	kJ/mol	Joback Calculated Property
ΔsubH°	[98.50; 104.50]	kJ/mol
ΔsubH°	104.50	kJ/mol	NIST
ΔsubH°	100.30 ± 1.00	kJ/mol	NIST
ΔsubH°	98.50 ± 1.00	kJ/mol	NIST
ΔsubH°	100.20 ± 0.40	kJ/mol	NIST
ΔsubH°	100.20	kJ/mol	NIST
ΔvapH°	[87.20; 92.40]	kJ/mol
ΔvapH°	92.40 ± 1.10	kJ/mol	NIST
ΔvapH°	87.20 ± 1.30	kJ/mol	NIST
IE	[7.31; 7.72]	eV
IE	7.43 ± 0.00	eV	NIST
IE	7.43 ± 0.00	eV	NIST
IE	7.40	eV	NIST
IE	7.50 ± 0.05	eV	NIST
IE	7.41	eV	NIST
IE	7.45 ± 0.01	eV	NIST
IE	7.70 ± 0.30	eV	NIST
IE	7.70	eV	NIST
IE	7.31	eV	NIST
IE	Outlier 7.72	eV	NIST
IE	7.48	eV	NIST
IE	7.45	eV	NIST
IE	7.55	eV	NIST
IE	7.53	eV	NIST
IE	7.58	eV	NIST
IE	7.42	eV	NIST
IE	7.41	eV	NIST
IE	7.41	eV	NIST
log10WS	[-6.18; -6.17]
log10WS	-6.17		Aq. Solubility Prediction
log10WS	-6.18		Estimated Solubility
logPoct/wat	4.584		Crippen Calculated Property
McVol	158.460	ml/mol	McGowan Calculated Property
Pc	2721.00	kPa	KDB
Inp	[340.00; 2136.00]
Inp	2103.00		NIST
Inp	2119.00		NIST
Inp	2101.00		NIST
Inp	2113.40		NIST
Inp	2113.40		NIST
Inp	2082.60		NIST
Inp	2113.40		NIST
Inp	2132.50		NIST
Inp	2080.40		NIST
Inp	2126.40		NIST
Inp	2095.80		NIST
Inp	2082.60		NIST
Inp	2113.40		NIST
Inp	2132.50		NIST
Inp	2113.40		NIST
Inp	2113.40		NIST
Inp	2049.68		NIST
Inp	2060.85		NIST
Inp	2069.40		NIST
Inp	2069.26		NIST
Inp	2091.45		NIST
Inp	2073.47		NIST
Inp	2057.00		NIST
Inp	2041.00		NIST
Inp	2054.00		NIST
Inp	2055.00		NIST
Inp	2055.00		NIST
Inp	2055.00		NIST
Inp	2055.00		NIST
Inp	2070.00		NIST
Inp	2070.00		NIST
Inp	2070.00		NIST
Inp	2070.00		NIST
Inp	2078.00		NIST
Inp	2079.00		NIST
Inp	2080.00		NIST
Inp	2086.00		NIST
Inp	2086.00		NIST
Inp	2093.00		NIST
Inp	2063.99		NIST
Inp	2048.56		NIST
Inp	2070.00		NIST
Inp	2040.00		NIST
Inp	2069.70		NIST
Inp	2120.64		NIST
Inp	2136.00		NIST
Inp	2044.00		NIST
Inp	2089.00		NIST
Inp	2042.00		NIST
Inp	2061.00		NIST
Inp	2103.00		NIST
Inp	2104.00		NIST
Inp	2109.00		NIST
Inp	2109.00		NIST
Inp	2112.00		NIST
Inp	2114.00		NIST
Inp	2134.00		NIST
Inp	2135.00		NIST
Inp	2085.00		NIST
Inp	2096.00		NIST
Inp	2103.00		NIST
Inp	2114.00		NIST
Inp	2077.00		NIST
Inp	2046.00		NIST
Inp	2061.00		NIST
Inp	348.91		NIST
Inp	348.12		NIST
Inp	350.72		NIST
Inp	351.42		NIST
Inp	350.67		NIST
Inp	351.74		NIST
Inp	353.42		NIST
Inp	351.60		NIST
Inp	340.00		NIST
Inp	340.00		NIST
Inp	351.22		NIST
Inp	352.80		NIST
Inp	352.67		NIST
Inp	351.91		NIST
Inp	352.54		NIST
Inp	352.72		NIST
Inp	352.85		NIST
Inp	352.13		NIST
Inp	352.18		NIST
Inp	352.27		NIST
Inp	352.29		NIST
Inp	352.36		NIST
Inp	352.41		NIST
Inp	352.65		NIST
Inp	352.65		NIST
Inp	352.33		NIST
Inp	352.37		NIST
Inp	346.60		NIST
Inp	346.60		NIST
Inp	351.86		NIST
Inp	351.88		NIST
Inp	351.51		NIST
Inp	353.40		NIST
Inp	351.40		NIST
Inp	352.90		NIST
Inp	352.52		NIST
Inp	351.63		NIST
Inp	351.87		NIST
Inp	351.91		NIST
Inp	351.22		NIST
Inp	352.77		NIST
Inp	361.60		NIST
Inp	365.40		NIST
Inp	352.09		NIST
Inp	347.41		NIST
Inp	352.16		NIST
Inp	351.51		NIST
Inp	351.22		NIST
Inp	351.00		NIST
Inp	352.41		NIST
Inp	351.91		NIST
Inp	352.41		NIST
Inp	348.10		NIST
Inp	346.30		NIST
Inp	400.00		NIST
Inp	348.28		NIST
Inp	348.46		NIST
Inp	346.00		NIST
Inp	348.10		NIST
Inp	350.30		NIST
Inp	351.20		NIST
Inp	352.80		NIST
Inp	348.43		NIST
Inp	348.46		NIST
Inp	350.71		NIST
Inp	351.22		NIST
Inp	350.52		NIST
Inp	350.79		NIST
Inp	351.22		NIST
Inp	351.51		NIST
Inp	351.47		NIST
Inp	351.88		NIST
Inp	350.83		NIST
Inp	353.20		NIST
Inp	352.30		NIST
Inp	348.09		NIST
Inp	351.22		NIST
Inp	351.22		NIST
Inp	351.98		NIST
Inp	352.88		NIST
Inp	351.80		NIST
Inp	351.22		NIST
Inp	347.32		NIST
Inp	347.87		NIST
Inp	348.49		NIST
Inp	349.15		NIST
Inp	350.66		NIST
Inp	351.22		NIST
Inp	352.30		NIST
Inp	353.34		NIST
Inp	2103.00		NIST
Inp	2114.00		NIST
Inp	2069.70		NIST
Inp	2042.00		NIST
Inp	2113.40		NIST
Inp	2080.40		NIST
Inp	2132.50		NIST
Inp	2069.40		NIST
Inp	2041.00		NIST
Inp	2055.00		NIST
Inp	2078.00		NIST
Inp	2093.00		NIST
Inp	351.60		NIST
Inp	352.67		NIST
Inp	352.13		NIST
Inp	352.41		NIST
Inp	346.60		NIST
Inp	353.40		NIST
Inp	351.87		NIST
Inp	365.40		NIST
Inp	351.22		NIST
Inp	351.00		NIST
Inp	346.30		NIST
Inp	348.10		NIST
Inp	348.46		NIST
Inp	353.20		NIST
Inp	351.98		NIST
Inp	347.87		NIST
Inp	352.30		NIST
Inp	348.91		NIST
Inp	351.74		NIST
I	[3135.00; 3183.00]
I	3183.00		NIST
I	3183.00		NIST
I	3160.00		NIST
I	3135.00		NIST
I	3160.00		NIST
S°solid,1 bar	[215.10; 224.89]	J/mol×K
S°solid,1 bar	224.89	J/mol×K	NIST
S°solid,1 bar	215.10	J/mol×K	NIST
Tboil	666.00	K	KDB
Tc	[938.20; 974.00]	K
Tc	974.00	K	Critical point measurement of some polycyclic aromatic hydrocarbons
Tc	938.20	K	KDB
Tfus	[421.25; 427.00]	K
Tfus	423.90	K	Experimental and computational thermodynamics of pyrene and 1-pyrenecarboxaldehyde and their photophysical properties
Tfus	423.90	K	Isothermal Thermogravimetric Study for Determining Sublimation Enthalpies of Some Hydroxyflavones
Tfus	423.80	K	KDB
Tfus	425.83	K	Aq. Solubility Prediction
Tfus	424.30 ± 0.60	K	NIST
Tfus	425.40 ± 0.30	K	NIST
Tfus	424.50 ± 0.10	K	NIST
Tfus	427.00 ± 2.00	K	NIST
Tfus	Outlier 421.25 ± 1.00	K	NIST
Tfus	424.15 ± 1.50	K	NIST
Tfus	425.70 ± 1.00	K	NIST
Tfus	423.60 ± 0.30	K	NIST
Ttriple	[423.81; 423.81]	K
Ttriple	423.81 ± 0.01	K	NIST
Ttriple	423.81 ± 0.01	K	NIST
Vc	0.626	m3/kmol	KDB
Zc	0.2183590		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[387.64; 454.56]	J/mol×K	[651.36; 907.48]
Cp,gas	387.64	J/mol×K	651.36	Joback Calculated Property
Cp,gas	400.96	J/mol×K	694.05	Joback Calculated Property
Cp,gas	413.12	J/mol×K	736.73	Joback Calculated Property
Cp,gas	424.36	J/mol×K	779.42	Joback Calculated Property
Cp,gas	434.86	J/mol×K	822.10	Joback Calculated Property
Cp,gas	444.86	J/mol×K	864.79	Joback Calculated Property
Cp,gas	454.56	J/mol×K	907.48	Joback Calculated Property
Cp,liquid	[352.30; 455.90]	J/mol×K	[430.00; 590.00]
Cp,liquid	352.30	J/mol×K	430.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	357.70	J/mol×K	440.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	363.20	J/mol×K	450.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	368.90	J/mol×K	460.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	374.80	J/mol×K	470.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	380.80	J/mol×K	480.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	386.90	J/mol×K	490.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	393.20	J/mol×K	500.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	399.60	J/mol×K	510.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	406.10	J/mol×K	520.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	412.80	J/mol×K	530.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	419.60	J/mol×K	540.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	426.60	J/mol×K	550.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	433.70	J/mol×K	560.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	441.00	J/mol×K	570.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	448.40	J/mol×K	580.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	455.90	J/mol×K	590.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,solid	[227.65; 229.70]	J/mol×K	[291.10; 298.15]
Cp,solid	227.65	J/mol×K	291.10	NIST
Cp,solid	229.36	J/mol×K	298.15	NIST
Cp,solid	229.70	J/mol×K	298.15	NIST
η	[0.0013128; 0.0020100]	Pa×s	[425.92; 651.36]
η	0.0020100	Pa×s	425.92	Joback Calculated Property
η	0.0018191	Pa×s	463.49	Joback Calculated Property
η	0.0016712	Pa×s	501.07	Joback Calculated Property
η	0.0015536	Pa×s	538.64	Joback Calculated Property
η	0.0014580	Pa×s	576.21	Joback Calculated Property
η	0.0013791	Pa×s	613.79	Joback Calculated Property
η	0.0013128	Pa×s	651.36	Joback Calculated Property
ΔfusH	[0.29; 17.36]	kJ/mol	[120.80; 423.80]
ΔfusH	0.29	kJ/mol	120.80	NIST
ΔfusH	16.70	kJ/mol	418.00	NIST
ΔfusH	17.36	kJ/mol	423.80	NIST
ΔfusH	17.36	kJ/mol	423.80	NIST
ΔsubH	[91.20; 103.30]	kJ/mol	[303.00; 410.50]
ΔsubH	91.20 ± 0.50	kJ/mol	303.00	NIST
ΔsubH	100.50	kJ/mol	330.50	NIST
ΔsubH	94.14	kJ/mol	344.75	NIST
ΔsubH	100.10 ± 1.70	kJ/mol	351.50	NIST
ΔsubH	103.10 ± 6.50	kJ/mol	353.00	NIST
ΔsubH	100.30 ± 0.30	kJ/mol	376.00	NIST
ΔsubH	103.30 ± 2.10	kJ/mol	379.50	NIST
ΔsubH	97.90	kJ/mol	383.00	NIST
ΔsubH	100.80 ± 1.50	kJ/mol	383.50	NIST
ΔsubH	100.20 ± 0.40	kJ/mol	410.50	NIST
ΔvapH	[73.00; 105.60]	kJ/mol	[298.15; 590.50]
ΔvapH	105.60	kJ/mol	298.15	Solution calorimetry as a complementary tool for the determination of enthalpies of vaporization and sublimation of low volatile compounds at 298.15 K
ΔvapH	78.60	kJ/mol	398.00	NIST
ΔvapH	76.40	kJ/mol	428.00	NIST
ΔvapH	81.50	kJ/mol	435.00	Evaluation of sublimation enthalpy by thermogravimetry: Analysis of the diffusion effects in the case of methyl and phenyl substituted hydantoins
ΔvapH	76.00	kJ/mol	440.00	NIST
ΔvapH	73.00	kJ/mol	590.50	NIST
Psub	[3.64e-06; 0.03]	kPa	[313.61; 408.05]
Psub	3.64e-06	kPa	313.61	Measurement of Vapor Pressures of Selected PBDEs, Hexabromobenzene, and 1,2-Bis(2,4,6-tribromophenoxy)ethane at Elevated Temperatures
Psub	8.95e-06	kPa	322.00	Vapor Pressures and Enthalpies of Sublimation of Ten Polycyclic Aromatic Hydrocarbons Determined via the Knudsen Effusion Method
Psub	1.41e-05	kPa	323.81	Measurement of Vapor Pressures of Selected PBDEs, Hexabromobenzene, and 1,2-Bis(2,4,6-tribromophenoxy)ethane at Elevated Temperatures
Psub	4.56e-05	kPa	333.53	Measurement of Vapor Pressures of Selected PBDEs, Hexabromobenzene, and 1,2-Bis(2,4,6-tribromophenoxy)ethane at Elevated Temperatures
Psub	5.31e-05	kPa	337.10	Vapor Pressures and Enthalpies of Sublimation of Ten Polycyclic Aromatic Hydrocarbons Determined via the Knudsen Effusion Method
Psub	7.50e-05	kPa	341.45	Thermal Stability, Sublimation Pressures, and Diffusion Coefficients of Anthracene, Pyrene, and Some Metal beta-Diketonates
Psub	9.43e-05	kPa	342.10	Vapor Pressures and Enthalpies of Sublimation of Ten Polycyclic Aromatic Hydrocarbons Determined via the Knudsen Effusion Method
Psub	1.21e-04	kPa	343.36	Measurement of Vapor Pressures of Selected PBDEs, Hexabromobenzene, and 1,2-Bis(2,4,6-tribromophenoxy)ethane at Elevated Temperatures
Psub	1.47e-04	kPa	347.10	Vapor Pressures and Enthalpies of Sublimation of Ten Polycyclic Aromatic Hydrocarbons Determined via the Knudsen Effusion Method
Psub	1.71e-04	kPa	351.05	Thermal Stability, Sublimation Pressures, and Diffusion Coefficients of Anthracene, Pyrene, and Some Metal beta-Diketonates
Psub	2.27e-04	kPa	352.30	Vapor Pressures and Enthalpies of Sublimation of Ten Polycyclic Aromatic Hydrocarbons Determined via the Knudsen Effusion Method
Psub	3.29e-04	kPa	353.24	Measurement of Vapor Pressures of Selected PBDEs, Hexabromobenzene, and 1,2-Bis(2,4,6-tribromophenoxy)ethane at Elevated Temperatures
Psub	3.39e-04	kPa	356.80	Vapor Pressures and Enthalpies of Sublimation of Ten Polycyclic Aromatic Hydrocarbons Determined via the Knudsen Effusion Method
Psub	5.99e-04	kPa	362.10	Vapor Pressures and Enthalpies of Sublimation of Ten Polycyclic Aromatic Hydrocarbons Determined via the Knudsen Effusion Method
Psub	8.27e-04	kPa	363.63	Measurement of Vapor Pressures of Selected PBDEs, Hexabromobenzene, and 1,2-Bis(2,4,6-tribromophenoxy)ethane at Elevated Temperatures
Psub	8.82e-04	kPa	369.85	Thermal Stability, Sublimation Pressures, and Diffusion Coefficients of Anthracene, Pyrene, and Some Metal beta-Diketonates
Psub	1.30e-03	kPa	372.00	Vapor Pressures and Enthalpies of Sublimation of Ten Polycyclic Aromatic Hydrocarbons Determined via the Knudsen Effusion Method
Psub	1.47e-03	kPa	373.95	Thermal Stability, Sublimation Pressures, and Diffusion Coefficients of Anthracene, Pyrene, and Some Metal beta-Diketonates
Psub	1.97e-03	kPa	379.55	Thermal Stability, Sublimation Pressures, and Diffusion Coefficients of Anthracene, Pyrene, and Some Metal beta-Diketonates
Psub	2.81e-03	kPa	381.40	Vapor Pressures and Enthalpies of Sublimation of Ten Polycyclic Aromatic Hydrocarbons Determined via the Knudsen Effusion Method
Psub	4.72e-03	kPa	383.95	Thermal Stability, Sublimation Pressures, and Diffusion Coefficients of Anthracene, Pyrene, and Some Metal beta-Diketonates
Psub	5.39e-03	kPa	389.05	Thermal Stability, Sublimation Pressures, and Diffusion Coefficients of Anthracene, Pyrene, and Some Metal beta-Diketonates
Psub	8.46e-03	kPa	392.95	Thermal Stability, Sublimation Pressures, and Diffusion Coefficients of Anthracene, Pyrene, and Some Metal beta-Diketonates
Psub	0.01	kPa	398.55	Thermal Stability, Sublimation Pressures, and Diffusion Coefficients of Anthracene, Pyrene, and Some Metal beta-Diketonates
Psub	0.02	kPa	402.05	Thermal Stability, Sublimation Pressures, and Diffusion Coefficients of Anthracene, Pyrene, and Some Metal beta-Diketonates
Psub	0.03	kPa	408.05	Thermal Stability, Sublimation Pressures, and Diffusion Coefficients of Anthracene, Pyrene, and Some Metal beta-Diketonates
Pvap	[3.22e-06; 2.84]	kPa	[298.15; 510.00]
Pvap	3.22e-06	kPa	298.15	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	4.07e-06	kPa	300.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	1.34e-05	kPa	310.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	4.06e-05	kPa	320.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	1.13e-04	kPa	330.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	2.92e-04	kPa	340.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	7.06e-04	kPa	350.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	1.60e-03	kPa	360.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	3.43e-03	kPa	370.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	6.97e-03	kPa	380.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	0.01	kPa	390.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	0.03	kPa	400.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	0.04	kPa	410.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	0.08	kPa	420.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	0.13	kPa	430.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	0.21	kPa	440.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	0.32	kPa	450.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	0.49	kPa	460.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	0.72	kPa	470.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	1.05	kPa	480.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	1.49	kPa	490.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	2.08	kPa	500.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	2.84	kPa	510.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
ρl	1274.21	kg/m3	293.10	KDB
ΔfusS	[2.39; 40.97]	J/mol×K	[120.80; 423.80]
ΔfusS	2.39	J/mol×K	120.80	NIST
ΔfusS	40.97	J/mol×K	423.80	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[493.83; 710.16]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.50707e+01
Coefficient B			-6.21237e+03
Coefficient C			-7.35980e+01
Temperature range, min.			493.83
Temperature range, max.			710.16
Pvap	1.33	kPa	493.83	Calculated Property
Pvap	2.97	kPa	517.87	Calculated Property
Pvap	6.08	kPa	541.90	Calculated Property
Pvap	11.62	kPa	565.94	Calculated Property
Pvap	20.91	kPa	589.98	Calculated Property
Pvap	35.70	kPa	614.01	Calculated Property
Pvap	58.24	kPa	638.05	Calculated Property
Pvap	91.30	kPa	662.09	Calculated Property
Pvap	138.16	kPa	686.12	Calculated Property
Pvap	202.64	kPa	710.16	Calculated Property
Pvap	[0.06; 2514.24]	kPa	[423.81; 936.00]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			8.81031e+01
Coefficient B			-1.32178e+04
Coefficient C			-9.93042e+00
Coefficient D			2.04131e-06
Temperature range, min.			423.81
Temperature range, max.			936.00
Pvap	0.06	kPa	423.81	Calculated Property
Pvap	0.78	kPa	480.72	Calculated Property
Pvap	5.33	kPa	537.63	Calculated Property
Pvap	23.55	kPa	594.54	Calculated Property
Pvap	76.58	kPa	651.45	Calculated Property
Pvap	199.28	kPa	708.36	Calculated Property
Pvap	439.73	kPa	765.27	Calculated Property
Pvap	857.32	kPa	822.18	Calculated Property
Pvap	1521.70	kPa	879.09	Calculated Property
Pvap	2514.24	kPa	936.00	Calculated Property

Similar Compounds

Find more compounds similar to Pyrene.

Mixtures

• p-Xylene + Pyrene
• Octane + Pyrene
• 1-Octanol + Pyrene
• Pentane, 2,2,4-trimethyl- + Pyrene
• p-Xylene + Octane + Pyrene
• p-Xylene + 1-Octanol + Pyrene
• Octane + Pentane, 2,2,4-trimethyl- + Pyrene
• p-Xylene + Pentane, 2,2,4-trimethyl- + Pyrene
• Octane + 1-Octanol + Pyrene
• 1-Octanol + Pentane, 2,2,4-trimethyl- + Pyrene
• Benzene, ethyl- + Pyrene
• Benzene + Pyrene
• n-Hexane + Pyrene
• 1-Hexanol + Pyrene
• Cyclohexane, methyl- + Pyrene
• Benzene + Benzene, ethyl- + Pyrene
• Benzene + n-Hexane + Pyrene
• Benzene + 1-Hexanol + Pyrene
• Benzene + Cyclohexane, methyl- + Pyrene
• n-Hexane + Benzene, ethyl- + Pyrene

Find more mixtures with Pyrene.

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Measurement and prediction of pyrene solubility in pure, binary, ternary and quaternary solvent systems
• Solubility of pyrene in simple and mixed solvent systems
• Determination of the solubility, dissolution enthalpy and entropy of pyrene in different solvents
• Critical point measurement of some polycyclic aromatic hydrocarbons
• Experimental and computational thermodynamics of pyrene and 1-pyrenecarboxaldehyde and their photophysical properties
• Solubility in binary solvent mixtures: pyrene dissolved in alcohol + toluene mixtures
• Solution calorimetry as a complementary tool for the determination of enthalpies of vaporization and sublimation of low volatile compounds at 298.15 K
• New method for determination of vaporization and sublimation enthalpy of aromatic compounds at 298.15 K using solution calorimetry technique and group-additivity scheme
• Enthalpies of solution, enthalpies of fusion and enthalpies of solvation of polyaromatic hydrocarbons: Instruments for determination of sublimation enthalpy at 298.15 K
• Evaluation of sublimation enthalpy by thermogravimetry: Analysis of the diffusion effects in the case of methyl and phenyl substituted hydantoins
• Isothermal Thermogravimetric Study for Determining Sublimation Enthalpies of Some Hydroxyflavones
• Solubility in Binary Solvent Mixtures: Pyrene Dissolved in Alcohol + Acetonitrile Mixtures at 299.2 K
• Solubility of Acenaphthene, Anthracene, and Pyrene in Water At 50 C to 300 C
• Ionic Liquids/Water Distribution Ratios of Some Polycyclic Aromatic Hydrocarbons
• Diffusion Coefficients of Aromatic Compounds at Infinite Dilution in Binary Mixtures at 298.15 K
• Solute Partitioning Between 1-n-Butyl-3-methylimidazolium Trifluoromethanesulfonate Ionic Liquid and Supercritical CO2
• Determination of Henry's Law Constant Using Diffusion in Air and Water Boundary Layers
• Measurement of Vapor Pressures of Selected PBDEs, Hexabromobenzene, and 1,2-Bis(2,4,6-tribromophenoxy)ethane at Elevated Temperatures
• Measurement and Correlation of Diffusion Coefficients of Aromatic Compounds at Infinite Dilution in Alkane and Cycloalkane Solvents
• Vapor Pressures and Enthalpies of Sublimation of Ten Polycyclic Aromatic Hydrocarbons Determined via the Knudsen Effusion Method
• Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
• Thermal Stability, Sublimation Pressures, and Diffusion Coefficients of Anthracene, Pyrene, and Some Metal beta-Diketonates
• Partitioning of Phenylalkanols between Micelles and Water Studied by Limiting Interdiffusion Coefficients in Water and Tetradecyltrimethylammonium Bromide Solutions
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure
• Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD

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