Chemical Properties of 1,4-Di(methyl-d3)benzene-d4 (CAS 41051-88-1)

InChI

InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3/i1D3,2D3,3D,4D,5D,6D

InChI Key

URLKBWYHVLBVBO-ZGYYUIRESA-N

Formula

C8D10

SMILES

Cc1ccc(C)cc1

Molecular Weight¹

116.23

CAS

41051-88-1

Other Names

• (2H10)-p-xylene
• Benzene-1,2,4,5-d4-, 3,6-di(methyl-d3)-
• [2H10]-1,4-Dimethylbenzene
• benzene-1,2,4,5-d4, 3,6-di(methyl-d3)-
• p-xylene-d10
• perdeuterated p-xylene
• perdeuterio-p-xylene
• perdeutero-p-xylene

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• 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
ΔfG°	119.26	kJ/mol	Joback Calculated Property
ΔfH°gas	16.61	kJ/mol	Joback Calculated Property
ΔfusH°	10.13	kJ/mol	Joback Calculated Property
ΔvapH°	42.40	kJ/mol	NIST
log10WS	-2.42		Crippen Calculated Property
logPoct/wat	2.303		Crippen Calculated Property
McVol	99.820	ml/mol	McGowan Calculated Property
Pc	3585.64	kPa	Joback Calculated Property
Inp	[858.00; 880.00]
Inp	880.00		NIST
Inp	858.00		NIST
Tboil	414.10	K	Joback Calculated Property
Tc	625.12	K	Joback Calculated Property
Tfus	218.86	K	Joback Calculated Property
Vc	0.376	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[176.61; 240.89]	J/mol×K	[414.10; 625.12]
Cp,gas	176.61	J/mol×K	414.10	Joback Calculated Property
Cp,gas	188.87	J/mol×K	449.27	Joback Calculated Property
Cp,gas	200.48	J/mol×K	484.44	Joback Calculated Property
Cp,gas	211.46	J/mol×K	519.61	Joback Calculated Property
Cp,gas	221.85	J/mol×K	554.78	Joback Calculated Property
Cp,gas	231.65	J/mol×K	589.95	Joback Calculated Property
Cp,gas	240.89	J/mol×K	625.12	Joback Calculated Property
η	[0.0002175; 0.0020700]	Pa×s	[218.86; 414.10]
η	0.0020700	Pa×s	218.86	Joback Calculated Property
η	0.0011152	Pa×s	251.40	Joback Calculated Property
η	0.0006923	Pa×s	283.94	Joback Calculated Property
η	0.0004740	Pa×s	316.48	Joback Calculated Property
η	0.0003483	Pa×s	349.02	Joback Calculated Property
η	0.0002698	Pa×s	381.56	Joback Calculated Property
η	0.0002175	Pa×s	414.10	Joback Calculated Property
ΔvapH	42.43	kJ/mol	298.00	Enthalp...

Similar Compounds

Find more compounds similar to 1,4-Di(methyl-d3)benzene-d4.

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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