Chemical Properties of Phenanthrene, 9,10-dimethyl- (CAS 604-83-1)

InChI

InChI=1S/C16H14/c1-11-12(2)14-8-4-6-10-16(14)15-9-5-3-7-13(11)15/h3-10H,1-2H3

InChI Key

JUEORGSHIXFSSI-UHFFFAOYSA-N

Formula

C16H14

SMILES

Cc1c(C)c2ccccc2c2ccccc12

Molecular Weight¹

206.28

CAS

604-83-1

Other Names

• 9,10-Dimethylphenanthrene
• 9,10-Phenanthraquinodimethane

• ω : Acentric Factor.
• 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_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_subH° : Enthalpy of sublimation at standard conditions (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
ω	0.4892		Relay (1.0) Calculated Property
ΔcH°solid	-8344.60	kJ/mol	NIST
ΔfG°	380.66	kJ/mol	Joback Calculated Property
ΔfH°gas	167.00	kJ/mol	NIST
ΔfusH°	24.11	kJ/mol	Joback Calculated Property
ΔsubH°	119.50	kJ/mol	NIST
ΔvapH°	90.21	kJ/mol	Relay (1.0) Calculated Property
IE	8.01 ± 0.05	eV	NIST
log10WS	-6.10		Relay (1.0) Calculated Property
logPoct/wat	4.610		Crippen Calculated Property
McVol	173.620	ml/mol	McGowan Calculated Property
Pc	2555.92	kPa	Joback Calculated Property
Inp	[347.90; 348.52]
Inp	348.52		NIST
Inp	347.90		NIST
Tboil	637.87	K	Relay (1.0) Calculated Property
Tc	899.26	K	Relay (1.0) Calculated Property
Tfus	417.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Vc	0.650	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[213.30; 535.57]	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			-6.55500e+01
Coefficient B			1.25904e+00
Coefficient C			-9.50120e-04
Coefficient D			2.92200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	213.30	J/mol×K	273.00	Calculated Property
Cp,gas	273.89	J/mol×K	353.78	Calculated Property
Cp,gas	326.13	J/mol×K	434.56	Calculated Property
Cp,gas	370.94	J/mol×K	515.33	Calculated Property
Cp,gas	409.25	J/mol×K	596.11	Calculated Property
Cp,gas	441.98	J/mol×K	676.89	Calculated Property
Cp,gas	470.05	J/mol×K	757.67	Calculated Property
Cp,gas	494.39	J/mol×K	838.44	Calculated Property
Cp,gas	515.92	J/mol×K	919.22	Calculated Property
Cp,gas	535.57	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010981; 0.0004590]	Pa×s	[417.15; 622.96]	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			-9.45473e+00
Coefficient B			1.10152e+03
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.			417.15
Temperature range, max.			622.96
η	0.0010981	Pa×s	417.15	Calculated Property
η	0.0009573	Pa×s	440.02	Calculated Property
η	0.0008460	Pa×s	462.89	Calculated Property
η	0.0007563	Pa×s	485.75	Calculated Property
η	0.0006830	Pa×s	508.62	Calculated Property
η	0.0006222	Pa×s	531.49	Calculated Property
η	0.0005712	Pa×s	554.36	Calculated Property
η	0.0005280	Pa×s	577.22	Calculated Property
η	0.0004910	Pa×s	600.09	Calculated Property
η	0.0004590	Pa×s	622.96	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[474.80; 686.31]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.37543e+01
Coefficient B			-4.78678e+03
Coefficient C			-1.19348e+02
Temperature range, min.			474.80
Temperature range, max.			686.31
Pvap	1.33	kPa	474.80	Calculated Property
Pvap	3.07	kPa	498.30	Calculated Property
Pvap	6.43	kPa	521.80	Calculated Property
Pvap	12.39	kPa	545.30	Calculated Property
Pvap	22.29	kPa	568.80	Calculated Property
Pvap	37.84	kPa	592.31	Calculated Property
Pvap	61.10	kPa	615.81	Calculated Property
Pvap	94.47	kPa	639.31	Calculated Property
Pvap	140.67	kPa	662.81	Calculated Property
Pvap	202.65	kPa	686.31	Calculated Property

Similar Compounds

Find more compounds similar to Phenanthrene, 9,10-dimethyl-.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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