Chemical Properties of Phenanthrene, 9-ethyl- (CAS 3674-75-7)

InChI

InChI=1S/C16H14/c1-2-12-11-13-7-3-4-9-15(13)16-10-6-5-8-14(12)16/h3-11H,2H2,1H3

InChI Key

ZWANHXINCHPSIK-UHFFFAOYSA-N

Formula

C16H14

SMILES

CCc1cc2ccccc2c2ccccc12

Molecular Weight¹

206.29

CAS

3674-75-7

Other Names

• 9-Ethylphenanthrene

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• 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	0.5024		Relay (1.0) Calculated Property
ΔfH°gas	165.06	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	24.50	kJ/mol	Joback Calculated Property
ΔvapH°	88.00	kJ/mol	Relay (1.0) Calculated Property
IE	7.73	eV	Relay (1.0) Calculated Property
log10WS	-6.20		Relay (1.0) Calculated Property
logPoct/wat	4.555		Crippen Calculated Property
McVol	173.620	ml/mol	McGowan Calculated Property
Pc	2595.13	kPa	Joback Calculated Property
Inp	[335.40; 337.05]
Inp	336.41		NIST
Inp	336.46		NIST
Inp	337.00		NIST
Inp	335.40		NIST
Inp	337.05		NIST
Inp	335.46		NIST
Inp	335.40		NIST
Inp	336.60		NIST
Inp	336.98		NIST
Inp	337.05		NIST
Inp	337.05		NIST
Inp	335.46		NIST
Inp	337.05		NIST
Tboil	630.00	K	Relay (1.0) Calculated Property
Tc	886.51	K	Relay (1.0) Calculated Property
Tfus	335.10	K	Relay (1.0) Calculated Property
Vc	0.655	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[210.75; 538.61]	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			-7.98490e+01
Coefficient B			1.31852e+00
Coefficient C			-1.01716e-03
Coefficient D			3.17100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	210.75	J/mol×K	273.00	Calculated Property
Cp,gas	273.35	J/mol×K	353.78	Calculated Property
Cp,gas	327.06	J/mol×K	434.56	Calculated Property
Cp,gas	372.90	J/mol×K	515.33	Calculated Property
Cp,gas	411.86	J/mol×K	596.11	Calculated Property
Cp,gas	444.95	J/mol×K	676.89	Calculated Property
Cp,gas	473.16	J/mol×K	757.67	Calculated Property
Cp,gas	497.51	J/mol×K	838.44	Calculated Property
Cp,gas	518.99	J/mol×K	919.22	Calculated Property
Cp,gas	538.61	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014025; 0.0004593]	Pa×s	[386.94; 618.83]	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			-9.54873e+00
Coefficient B			1.15278e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			386.94
Temperature range, max.			618.83
η	0.0014025	Pa×s	386.94	Calculated Property
η	0.0011645	Pa×s	412.71	Calculated Property
η	0.0009882	Pa×s	438.47	Calculated Property
η	0.0008540	Pa×s	464.24	Calculated Property
η	0.0007495	Pa×s	490.00	Calculated Property
η	0.0006664	Pa×s	515.77	Calculated Property
η	0.0005992	Pa×s	541.53	Calculated Property
η	0.0005439	Pa×s	567.30	Calculated Property
η	0.0004980	Pa×s	593.06	Calculated Property
η	0.0004593	Pa×s	618.83	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-ethyl-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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