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

C14D10

SMILES

c1ccc2c(c1)ccc1ccccc12

Molecular Weight¹

188.29

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_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 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).
• 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.
• I : 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
ΔfG°	383.08	kJ/mol	Joback Calculated Property
ΔfH°gas	274.91	kJ/mol	Joback Calculated Property
ΔfusH°	19.71	kJ/mol	Joback Calculated Property
ΔvapH°	78.60	kJ/mol	NIST
IE	8.05	eV	NIST
log10WS	-5.08		Crippen Calculated Property
logPoct/wat	3.993		Crippen Calculated Property
McVol	145.440	ml/mol	McGowan Calculated Property
Pc	3243.03	kPa	Joback Calculated Property
Inp	[299.20; 1793.00]
Inp	1776.00		NIST
Inp	1793.00		NIST
Inp	299.20		NIST
Inp	1776.00		NIST
I	2713.00		NIST
Tboil	589.34	K	Joback Calculated Property
Tc	843.18	K	Joback Calculated Property
Tfus	351.88	K	Joback Calculated Property
Vc	0.555	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[334.16; 406.65]	J/mol×K	[589.34; 843.18]
Cp,gas	334.16	J/mol×K	589.34	Joback Calculated Property
Cp,gas	349.09	J/mol×K	631.65	Joback Calculated Property
Cp,gas	362.69	J/mol×K	673.95	Joback Calculated Property
Cp,gas	375.10	J/mol×K	716.26	Joback Calculated Property
Cp,gas	386.47	J/mol×K	758.56	Joback Calculated Property
Cp,gas	396.94	J/mol×K	800.87	Joback Calculated Property
Cp,gas	406.65	J/mol×K	843.18	Joback Calculated Property
η	[0.0004678; 0.0014969]	Pa×s	[351.88; 589.34]
η	0.0014969	Pa×s	351.88	Joback Calculated Property
η	0.0011180	Pa×s	391.46	Joback Calculated Property
η	0.0008810	Pa×s	431.03	Joback Calculated Property
η	0.0007226	Pa×s	470.61	Joback Calculated Property
η	0.0006112	Pa×s	510.19	Joback Calculated Property
η	0.0005296	Pa×s	549.76	Joback Calculated Property
η	0.0004678	Pa×s	589.34	Joback Calculated Property
ΔsubH	92.20 ± 1.10	kJ/mol	303.00	NIST
ΔvapH	78.62	kJ/mol	298.00	Enthalp...

Similar Compounds

Find more compounds similar to Phenanthrene-D10.

Sources

• 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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