Chemical Properties of Phenanthrene-D10 (CAS 1517-22-2)

InChI

InChI=1S/C14H10/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D

InChI Key

YNPNZTXNASCQKK-LHNTUAQVSA-N

Formula

C14H10

SMILES

[2H]c1c([2H])c([2H])c2c(c1[2H])c([2H])c([2H])c1c([2H])c([2H])c([2H])c([2H])c12

Molecular Weight¹

188.30

CAS

1517-22-2

Other Names

• Phenanthrene, perdeutero-
• [2H10]Phenanthrene

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	19.71	kJ/mol	Joback Calculated Property
ΔvapH°	78.60	kJ/mol	NIST
IE	8.05	eV	NIST
logPoct/wat	3.993		Crippen Calculated Property
McVol	145.440	ml/mol	McGowan Calculated Property
Inp	[299.20; 1793.00]
Inp	1776.00		NIST
Inp	1793.00		NIST
Inp	299.20		NIST
Inp	1776.00		NIST
Ip	2713.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[165.77; 438.47]	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			-9.23300e+01
Coefficient B			1.18800e+00
Coefficient C			-9.75400e-04
Coefficient D			3.18200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	165.77	J/mol×K	273.00	Calculated Property
Cp,gas	219.97	J/mol×K	353.78	Calculated Property
Cp,gas	265.84	J/mol×K	434.56	Calculated Property
Cp,gas	304.40	J/mol×K	515.33	Calculated Property
Cp,gas	336.65	J/mol×K	596.11	Calculated Property
Cp,gas	363.59	J/mol×K	676.89	Calculated Property
Cp,gas	386.24	J/mol×K	757.67	Calculated Property
Cp,gas	405.60	J/mol×K	838.44	Calculated Property
Cp,gas	422.67	J/mol×K	919.22	Calculated Property
Cp,gas	438.47	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0015814; 0.0004927]	Pa×s	[351.88; 590.42]	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			-9.33599e+00
Coefficient B			1.01572e+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.			351.88
Temperature range, max.			590.42
η	0.0015814	Pa×s	351.88	Calculated Property
η	0.0012919	Pa×s	378.38	Calculated Property
η	0.0010837	Pa×s	404.89	Calculated Property
η	0.0009289	Pa×s	431.39	Calculated Property
η	0.0008106	Pa×s	457.90	Calculated Property
η	0.0007179	Pa×s	484.40	Calculated Property
η	0.0006439	Pa×s	510.91	Calculated Property
η	0.0005838	Pa×s	537.41	Calculated Property
η	0.0005342	Pa×s	563.92	Calculated Property
η	0.0004927	Pa×s	590.42	Calculated Property

Similar Compounds

Find more compounds similar to Phenanthrene-D10.

Sources

• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Enthalpies of Vaporization and Vapor Pressures of Some Deuterated Hydrocarbons. Liquid-Vapor Pressure Isotope Effects
• Joback Method
• McGowan Method
• NIST Webbook

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