Chemical Properties of Benzene, 1,2,4,5-tetramethyl- (CAS 95-93-2)

InChI

InChI=1S/C10H14/c1-7-5-9(3)10(4)6-8(7)2/h5-6H,1-4H3

InChI Key

SQNZJJAZBFDUTD-UHFFFAOYSA-N

Formula

C10H14

SMILES

Cc1cc(C)c(C)cc1C

Molecular Weight¹

134.22

CAS

95-93-2

Other Names

• 1,2,4,5-tetramethylbenzene
• Durol
• durene
• p-Xylene, 2,5-dimethyl-

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• C_p,solid : Solid phase heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• EA : Electron affinity (eV).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH° : Enthalpy of sublimation 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).
• P_vap : Vapor pressure (kPa).
• n₀ : Refractive Index.
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• S°_liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
• γ : Surface Tension (N/m).
• 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	0.4350		KDB
ΔcH°liquid	[-5837.30; -5809.10]	kJ/mol
ΔcH°liquid	-5837.30 ± 3.00	kJ/mol	NIST
ΔcH°liquid	-5809.10 ± 5.90	kJ/mol	NIST
ΔcH°solid	[-5816.10; -5814.20]	kJ/mol
ΔcH°solid	-5814.20 ± 1.40	kJ/mol	NIST
ΔcH°solid	-5816.10 ± 1.20	kJ/mol	NIST
EA	0.05 ± 0.02	eV	NIST
ΔfG°	119.50	kJ/mol	KDB
ΔfH°gas	[-47.10; -45.30]	kJ/mol
ΔfH°gas	-45.30	kJ/mol	KDB
ΔfH°gas	-47.10 ± 1.90	kJ/mol	NIST
ΔfH°gas	-46.90 ± 1.80	kJ/mol	NIST
ΔfH°gas	-45.30	kJ/mol	NIST
ΔfH°liquid	-98.70 ± 3.00	kJ/mol	NIST
ΔfH°solid	[-121.70; -119.90]	kJ/mol
ΔfH°solid	-121.70 ± 1.90	kJ/mol	NIST
ΔfH°solid	-119.90 ± 1.30	kJ/mol	NIST
ΔfusH°	14.53	kJ/mol	Joback Calculated Property
ΔsubH°	[71.69; 74.60]	kJ/mol
ΔsubH°	71.69 ± 0.29	kJ/mol	NIST
ΔsubH°	71.70 ± 0.30	kJ/mol	NIST
ΔsubH°	74.60 ± 0.30	kJ/mol	NIST
ΔsubH°	74.60	kJ/mol	NIST
ΔsubH°	74.60 ± 0.30	kJ/mol	NIST
ΔsubH°	72.40	kJ/mol	NIST
ΔvapH°	55.14	kJ/mol	Relay (1.0) Calculated Property
IE	[8.03; 8.50]	eV
IE	8.06 ± 0.03	eV	NIST
IE	8.07	eV	NIST
IE	Outlier 8.50 ± 0.05	eV	NIST
IE	8.03 ± 0.01	eV	NIST
IE	8.03	eV	NIST
IE	8.20	eV	NIST
IE	8.37	eV	NIST
IE	8.05 ± 0.02	eV	NIST
IE	8.05	eV	NIST
IE	8.13	eV	NIST
IE	8.05	eV	NIST
log10WS	[-4.59; -4.59]
log10WS	-4.59		Aq. Solubility Prediction
log10WS	-4.59		Estimated Solubility
logPoct/wat	2.920		Crippen Calculated Property
McVol	128.000	ml/mol	McGowan Calculated Property
Pc	[2897.90; 2900.00]	kPa
Pc	2900.00	kPa	KDB
Pc	2900.00	kPa	NIST
Pc	2897.90 ± 151.99	kPa	NIST
Inp	[1093.00; 1147.00]
Inp	1124.70		NIST
Inp	1132.40		NIST
Inp	1109.30		NIST
Inp	1126.00		NIST
Inp	1116.70		NIST
Inp	1093.00		NIST
Inp	1093.00		NIST
Inp	1106.00		NIST
Inp	1106.00		NIST
Inp	1106.10		NIST
Inp	1105.60		NIST
Inp	1106.50		NIST
Inp	1106.00		NIST
Inp	1113.00		NIST
Inp	Outlier 1142.00		NIST
Inp	1106.00		NIST
Inp	1106.00		NIST
Inp	1106.00		NIST
Inp	1107.00		NIST
Inp	1107.00		NIST
Inp	1107.00		NIST
Inp	1125.00		NIST
Inp	1105.00		NIST
Inp	1107.00		NIST
Inp	1105.00		NIST
Inp	1108.00		NIST
Inp	1100.00		NIST
Inp	1096.40		NIST
Inp	1118.00		NIST
Inp	1100.00		NIST
Inp	1107.00		NIST
Inp	1114.00		NIST
Inp	1121.00		NIST
Inp	1102.80		NIST
Inp	1105.90		NIST
Inp	1107.20		NIST
Inp	1114.40		NIST
Inp	1121.20		NIST
Inp	1106.00		NIST
Inp	1102.80		NIST
Inp	1105.90		NIST
Inp	1107.00		NIST
Inp	1099.53		NIST
Inp	1124.00		NIST
Inp	1128.00		NIST
Inp	1134.00		NIST
Inp	1094.90		NIST
Inp	Outlier 1145.00		NIST
Inp	1123.00		NIST
Inp	1114.20		NIST
Inp	Outlier 1147.00		NIST
Inp	1104.85		NIST
Inp	1108.00		NIST
Inp	1129.00		NIST
Inp	1109.00		NIST
Inp	1117.00		NIST
Inp	1109.40		NIST
Inp	1109.70		NIST
Inp	1114.10		NIST
Inp	1115.80		NIST
Inp	1130.20		NIST
Inp	Outlier 1140.00		NIST
Inp	1097.90		NIST
Inp	1101.20		NIST
Inp	1109.70		NIST
Inp	1114.10		NIST
Inp	1115.80		NIST
Inp	1101.84		NIST
Inp	1102.07		NIST
Inp	1102.00		NIST
Inp	1099.00		NIST
Inp	1099.00		NIST
Inp	1110.08		NIST
Inp	1107.00		NIST
Inp	1121.00		NIST
Inp	1107.00		NIST
Inp	1107.00		NIST
Inp	1114.00		NIST
Inp	1114.00		NIST
Inp	1111.00		NIST
Inp	1103.00		NIST
Inp	1111.00		NIST
Inp	1117.00		NIST
Inp	1113.00		NIST
Inp	1111.00		NIST
Inp	1109.00		NIST
Inp	1116.00		NIST
Inp	1118.00		NIST
Inp	1112.00		NIST
Inp	1101.00		NIST
Inp	1100.00		NIST
Inp	1123.20		NIST
Inp	1113.00		NIST
Inp	1098.00		NIST
Inp	1102.00		NIST
Inp	1130.00		NIST
Inp	1119.00		NIST
Inp	1131.00		NIST
Inp	1096.00		NIST
Inp	1107.00		NIST
Inp	Outlier 1146.00		NIST
Inp	1096.00		NIST
Inp	1108.00		NIST
Inp	1104.00		NIST
Inp	1106.00		NIST
Inp	1095.00		NIST
Inp	1103.00		NIST
Inp	1100.00		NIST
I	[1400.00; 1480.30]
I	1447.30		NIST
I	1463.00		NIST
I	Outlier 1480.30		NIST
I	1406.80		NIST
I	1401.30		NIST
I	1445.80		NIST
I	1419.00		NIST
I	1417.00		NIST
I	1438.00		NIST
I	1432.00		NIST
I	1433.00		NIST
I	1440.00		NIST
I	1400.00		NIST
I	1411.00		NIST
I	1407.00		NIST
I	1416.00		NIST
I	1435.00		NIST
I	1435.00		NIST
I	1459.00		NIST
I	1446.00		NIST
I	1447.30		NIST
I	1445.80		NIST
S°liquid	245.60	J/mol×K	NIST
Tboil	[465.00; 472.70]	K
Tboil	469.99	K	KDB
Tboil	470.20	K	NIST
Tboil	469.15 ± 0.50	K	NIST
Tboil	470.00 ± 0.30	K	NIST
Tboil	469.85 ± 0.30	K	NIST
Tboil	470.00 ± 0.30	K	NIST
Tboil	472.70 ± 2.00	K	NIST
Tboil	Outlier 465.00 ± 3.00	K	NIST
Tc	[675.65; 676.00]	K
Tc	676.00	K	KDB
Tc	676.00	K	NIST
Tc	675.65 ± 2.00	K	NIST
Tfus	[351.65; 353.40]	K
Tfus	352.40	K	KDB
Tfus	352.58	K	Aq. Solubility Prediction
Tfus	Outlier 351.65 ± 0.60	K	NIST
Tfus	353.00 ± 3.00	K	NIST
Tfus	353.40 ± 2.00	K	NIST
Tfus	352.32 ± 0.06	K	NIST
Tfus	352.35 ± 0.04	K	NIST
Tfus	352.39 ± 0.03	K	NIST
Tfus	352.35 ± 0.40	K	NIST
Tfus	352.24 ± 0.20	K	NIST
Tfus	352.95 ± 1.00	K	NIST
Tfus	352.40 ± 0.20	K	NIST
Tfus	353.00 ± 2.00	K	NIST
Tfus	353.15 ± 2.00	K	NIST
Tfus	352.10 ± 0.40	K	NIST
Tfus	352.50 ± 1.00	K	NIST
Tfus	352.43 ± 0.07	K	NIST
Tfus	353.15 ± 1.50	K	NIST
Vc	0.486	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[258.77; 332.37]	J/mol×K	[469.82; 678.39]
Cp,gas	258.77	J/mol×K	469.82	Joback Calculated Property
Cp,gas	272.57	J/mol×K	504.58	Joback Calculated Property
Cp,gas	285.73	J/mol×K	539.34	Joback Calculated Property
Cp,gas	298.28	J/mol×K	574.11	Joback Calculated Property
Cp,gas	310.23	J/mol×K	608.87	Joback Calculated Property
Cp,gas	321.58	J/mol×K	643.63	Joback Calculated Property
Cp,gas	332.37	J/mol×K	678.39	Joback Calculated Property
Cp,liquid	[215.10; 303.00]	J/mol×K	[297.10; 470.00]
Cp,liquid	215.10	J/mol×K	297.10	NIST
Cp,liquid	220.10	J/mol×K	298.10	NIST
Cp,liquid	275.70	J/mol×K	353.00	NIST
Cp,liquid	268.00	J/mol×K	360.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	271.00	J/mol×K	370.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	275.00	J/mol×K	380.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	278.00	J/mol×K	390.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	281.00	J/mol×K	400.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	284.00	J/mol×K	410.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	287.00	J/mol×K	420.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	290.00	J/mol×K	430.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	294.00	J/mol×K	440.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	297.00	J/mol×K	450.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	300.00	J/mol×K	460.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	303.00	J/mol×K	470.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,solid	[204.02; 215.60]	J/mol×K	[298.15; 303.15]
Cp,solid	204.02	J/mol×K	298.15	NIST
Cp,solid	215.60	J/mol×K	303.15	NIST
η	[0.0001983; 0.0012469]	Pa×s	[266.44; 469.82]
η	0.0012469	Pa×s	266.44	Joback Calculated Property
η	0.0007720	Pa×s	300.34	Joback Calculated Property
η	0.0005268	Pa×s	334.23	Joback Calculated Property
η	0.0003857	Pa×s	368.13	Joback Calculated Property
η	0.0002977	Pa×s	402.03	Joback Calculated Property
η	0.0002391	Pa×s	435.92	Joback Calculated Property
η	0.0001983	Pa×s	469.82	Joback Calculated Property
ΔfusH	[20.88; 21.34]	kJ/mol	[352.05; 352.40]
ΔfusH	21.34	kJ/mol	352.05	NIST
ΔfusH	20.88	kJ/mol	352.40	NIST
ΔfusH	20.88	kJ/mol	352.40	NIST
ΔfusH	20.88	kJ/mol	352.40	NIST
ΔsubH	71.30	kJ/mol	333.00	NIST
ΔvapH	[45.52; 49.40]	kJ/mol	[372.00; 470.00]
ΔvapH	47.70 ± 0.30	kJ/mol	372.00	NIST
ΔvapH	49.40	kJ/mol	426.50	NIST
ΔvapH	45.52	kJ/mol	470.00	KDB
n0	1.50930		298.15	KDB
ρl	838.00	kg/m3	354.00	KDB
ΔfusS	59.30	J/mol×K	352.40	NIST
γ	0.02	N/m	373.20	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[346.65; 500.25]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.47415e+01
Coefficient B			-4.16711e+03
Coefficient C			-5.83480e+01
Temperature range, min.			346.65
Temperature range, max.			500.25
Pvap	1.33	kPa	346.65	Calculated Property
Pvap	2.99	kPa	363.72	Calculated Property
Pvap	6.16	kPa	380.78	Calculated Property
Pvap	11.79	kPa	397.85	Calculated Property
Pvap	21.22	kPa	414.92	Calculated Property
Pvap	36.18	kPa	431.98	Calculated Property
Pvap	58.90	kPa	449.05	Calculated Property
Pvap	92.04	kPa	466.12	Calculated Property
Pvap	138.76	kPa	483.18	Calculated Property
Pvap	202.66	kPa	500.25	Calculated Property
Pvap	[1.75; 2909.70]	kPa	[352.38; 675.15]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			1.09017e+02
Coefficient B			-1.02916e+04
Coefficient C			-1.36620e+01
Coefficient D			7.04044e-06
Temperature range, min.			352.38
Temperature range, max.			675.15
Pvap	1.75	kPa	352.38	Calculated Property
Pvap	8.35	kPa	388.24	Calculated Property
Pvap	28.84	kPa	424.11	Calculated Property
Pvap	78.90	kPa	459.97	Calculated Property
Pvap	181.65	kPa	495.83	Calculated Property
Pvap	367.79	kPa	531.70	Calculated Property
Pvap	676.14	kPa	567.56	Calculated Property
Pvap	1155.94	kPa	603.42	Calculated Property
Pvap	1871.46	kPa	639.29	Calculated Property
Pvap	2909.70	kPa	675.15	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1,2,4,5-tetramethyl-.

Mixtures

• Benzene, 1,2,4,5-tetramethyl- + Methyl Alcohol
• Ethanol + Benzene, 1,2,4,5-tetramethyl-

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Modified solution calorimetry approach for determination of vaporization and sublimation enthalpies of branched-chain aliphatic and alkyl aromatic compounds at T = 298.15 K
• Vapor-Liquid Equilibrium of Durene in Methanol or Ethanol
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure
• Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD

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