Chemical Properties of Phenanthrene, 2-ethyl- (CAS 3674-74-6)

InChI

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

InChI Key

UMAHMIHRNVICDZ-UHFFFAOYSA-N

Formula

C16H14

SMILES

CCc1ccc2c(ccc3ccccc32)c1

Molecular Weight¹

206.28

CAS

3674-74-6

Other Names

• 2-Ethyl-phenanthrene

• ω : Acentric Factor.
• 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).
• 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).
• 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	0.5088		Relay (1.0) Calculated Property
ΔfG°	390.29	kJ/mol	Joback Calculated Property
ΔfH°gas	163.70	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	24.50	kJ/mol	Joback Calculated Property
ΔvapH°	87.33	kJ/mol	Relay (1.0) Calculated Property
IE	7.82	eV	Relay (1.0) Calculated Property
log10WS	-6.29		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; 1851.00]
Inp	Outlier 1851.00		NIST
Inp	335.53		NIST
Inp	336.46		NIST
Inp	337.00		NIST
Inp	335.44		NIST
Inp	337.14		NIST
Inp	337.50		NIST
Inp	335.40		NIST
Inp	336.60		NIST
Inp	337.50		NIST
Inp	Outlier 1851.00		NIST
Tboil	636.45	K	Relay (1.0) Calculated Property
Tc	885.77	K	Relay (1.0) Calculated Property
Tfus	318.02	K	Relay (1.0) Calculated Property
Vc	0.659	m3/kmol	Relay (1.0) Calculated Property

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

Similar Compounds

Find more compounds similar to Phenanthrene, 2-ethyl-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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