Chemical Properties of 1,4-dimethylphenanthrene (CAS 22349-59-3)

InChI

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

InChI Key

DWMAJXVIIUYYOH-UHFFFAOYSA-N

Formula

C16H14

SMILES

Cc1ccc(C)c2c1ccc1ccccc12

Molecular Weight¹

206.28

CAS

22349-59-3

Other Names

• Phenanthrene, 1,4-dimethyl-

• 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	0.5046		Relay (1.0) Calculated Property
ΔfG°	380.66	kJ/mol	Joback Calculated Property
ΔfH°gas	164.46	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	24.11	kJ/mol	Joback Calculated Property
ΔvapH°	87.50	kJ/mol	Relay (1.0) Calculated Property
IE	7.49	eV	Relay (1.0) Calculated Property
log10WS	-5.82		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	[344.00; 344.09]
Inp	344.00		NIST
Inp	344.09		NIST
Inp	344.00		NIST
Tboil	632.21	K	Relay (1.0) Calculated Property
Tc	896.70	K	Relay (1.0) Calculated Property
Tfus	[322.90; 324.00]	K
Tfus	322.90 ± 0.70	K	NIST
Tfus	324.00 ± 2.00	K	NIST
Vc	0.654	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	[0.0023598; 0.0004590]	Pa×s	[323.45; 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.			323.45
Temperature range, max.			622.96
η	0.0023598	Pa×s	323.45	Calculated Property
η	0.0017175	Pa×s	356.73	Calculated Property
η	0.0013197	Pa×s	390.01	Calculated Property
η	0.0010569	Pa×s	423.29	Calculated Property
η	0.0008743	Pa×s	456.57	Calculated Property
η	0.0007421	Pa×s	489.84	Calculated Property
η	0.0006432	Pa×s	523.12	Calculated Property
η	0.0005671	Pa×s	556.40	Calculated Property
η	0.0005071	Pa×s	589.68	Calculated Property
η	0.0004590	Pa×s	622.96	Calculated Property

Similar Compounds

Find more compounds similar to 1,4-dimethylphenanthrene.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.