Chemical Properties of Benzene, 1,2,3,5-tetramethyl- (CAS 527-53-7)

InChI

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

InChI Key

BFIMMTCNYPIMRN-UHFFFAOYSA-N

Formula

C10H14

SMILES

Cc1cc(C)c(C)c(C)c1

Molecular Weight¹

134.22

CAS

527-53-7

Other Names

• 1,2,3,5-Tetramethylbenzene
• ISODURENE

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• Δ_cH°_liquid : Standard liquid 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).
• 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_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion 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.
• 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).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• Z_c : Critical Compressibility.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4120		KDB
PAff	845.60	kJ/mol	NIST
BasG	816.50	kJ/mol	NIST
ΔcH°liquid	[-5839.60; -5815.30]	kJ/mol
ΔcH°liquid	-5839.60 ± 1.10	kJ/mol	NIST
ΔcH°liquid	-5837.50 ± 3.00	kJ/mol	NIST
ΔcH°liquid	-5815.30 ± 5.90	kJ/mol	NIST
EA	0.11 ± 0.01	eV	NIST
ΔfG°	118.80	kJ/mol	KDB
ΔfH°gas	[-46.50; -43.20]	kJ/mol
ΔfH°gas	-44.84	kJ/mol	KDB
ΔfH°gas	-43.20 ± 1.30	kJ/mol	NIST
ΔfH°gas	-44.40 ± 1.20	kJ/mol	NIST
ΔfH°gas	-46.50 ± 3.00	kJ/mol	NIST
ΔfH°liquid	[-98.50; -96.40]	kJ/mol
ΔfH°liquid	-96.40 ± 1.20	kJ/mol	NIST
ΔfH°liquid	-98.50 ± 3.00	kJ/mol	NIST
ΔfusH°	14.53	kJ/mol	Joback Calculated Property
ΔvapH°	[51.98; 55.80]	kJ/mol
ΔvapH°	53.20	kJ/mol	NIST
ΔvapH°	51.98 ± 0.17	kJ/mol	NIST
ΔvapH°	52.00 ± 0.20	kJ/mol	NIST
ΔvapH°	55.80	kJ/mol	NIST
IE	[8.07; 8.47]	eV
IE	8.47 ± 0.05	eV	NIST
IE	8.07	eV	NIST
IE	8.30 ± 0.03	eV	NIST
log10WS	-3.37		Crippen Calculated Property
logPoct/wat	2.920		Crippen Calculated Property
McVol	128.000	ml/mol	McGowan Calculated Property
Pc	2870.00	kPa	KDB
Inp	[1096.00; 1154.00]
Inp	1129.00		NIST
Inp	1137.00		NIST
Inp	1113.50		NIST
Inp	1121.30		NIST
Inp	1096.00		NIST
Inp	1096.00		NIST
Inp	1109.00		NIST
Inp	1109.00		NIST
Inp	1109.00		NIST
Inp	1109.00		NIST
Inp	1110.00		NIST
Inp	1099.50		NIST
Inp	1104.00		NIST
Inp	1110.00		NIST
Inp	1118.00		NIST
Inp	1125.00		NIST
Inp	1108.40		NIST
Inp	1111.40		NIST
Inp	1110.50		NIST
Inp	1117.50		NIST
Inp	1125.00		NIST
Inp	1108.00		NIST
Inp	1108.40		NIST
Inp	1111.40		NIST
Inp	1113.00		NIST
Inp	1105.05		NIST
Inp	1137.00		NIST
Inp	1140.00		NIST
Inp	Outlier 1145.00		NIST
Inp	1139.00		NIST
Inp	Outlier 1144.00		NIST
Inp	Outlier 1149.00		NIST
Inp	Outlier 1150.00		NIST
Inp	1097.70		NIST
Inp	Outlier 1151.00		NIST
Inp	1123.00		NIST
Inp	1118.10		NIST
Inp	1103.00		NIST
Inp	Outlier 1154.00		NIST
Inp	1108.80		NIST
Inp	1112.00		NIST
Inp	1133.00		NIST
Inp	1105.00		NIST
Inp	1113.00		NIST
Inp	1113.00		NIST
Inp	1104.26		NIST
Inp	1104.97		NIST
Inp	1104.00		NIST
Inp	1102.00		NIST
Inp	1102.00		NIST
Inp	1103.00		NIST
Inp	1112.85		NIST
Inp	1110.00		NIST
Inp	1110.00		NIST
Inp	1117.00		NIST
Inp	1118.00		NIST
Inp	1122.00		NIST
Inp	1116.00		NIST
Inp	1107.00		NIST
Inp	1116.00		NIST
Inp	1122.00		NIST
Inp	1113.00		NIST
Inp	1114.00		NIST
Inp	1115.00		NIST
Inp	1113.00		NIST
Inp	1119.00		NIST
Inp	1121.00		NIST
Inp	1115.00		NIST
Inp	1104.00		NIST
Inp	1108.00		NIST
Inp	1103.00		NIST
Inp	1127.90		NIST
Inp	1116.00		NIST
Inp	1100.00		NIST
Inp	1123.00		NIST
Inp	1137.00		NIST
Inp	1100.00		NIST
Inp	1107.00		NIST
Inp	1104.00		NIST
Inp	1109.00		NIST
Inp	1106.00		NIST
Inp	1114.00		NIST
Inp	1115.00		NIST
Inp	1116.00		NIST
Inp	1129.00		NIST
Inp	1096.00		NIST
Inp	1110.00		NIST
Inp	1125.00		NIST
Inp	1105.05		NIST
Inp	Outlier 1144.00		NIST
Inp	1123.00		NIST
Inp	1112.85		NIST
Inp	1108.80		NIST
I	[1395.00; 1474.50]
I	1456.30		NIST
I	1474.50		NIST
I	1395.00		NIST
I	1416.50		NIST
I	1410.50		NIST
I	1455.80		NIST
I	1430.00		NIST
I	1447.00		NIST
I	1441.00		NIST
I	1443.00		NIST
I	1422.00		NIST
I	1416.00		NIST
I	1422.00		NIST
I	1456.30		NIST
I	1455.80		NIST
S°liquid	310.00	J/mol×K	NIST
Tboil	471.30	K	KDB
Tc	679.00	K	KDB
Tfus	[245.78; 249.95]	K
Tfus	249.00	K	KDB
Tfus	249.42 ± 0.03	K	NIST
Tfus	249.45 ± 0.02	K	NIST
Tfus	249.46 ± 0.01	K	NIST
Tfus	249.34 ± 0.20	K	NIST
Tfus	249.38 ± 0.20	K	NIST
Tfus	249.04 ± 0.30	K	NIST
Tfus	248.94 ± 0.40	K	NIST
Tfus	249.95 ± 0.20	K	NIST
Tfus	249.03 ± 0.50	K	NIST
Tfus	249.30 ± 0.30	K	NIST
Tfus	Outlier 245.78 ± 0.50	K	NIST
Tfus	249.20 ± 1.00	K	NIST
Tfus	249.00 ± 0.20	K	NIST
Ttriple	248.60 ± 0.30	K	NIST
Vc	0.487	m3/kmol	KDB
Zc	0.2478280		KDB

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	240.20	J/mol×K	297.10	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	[12.93; 12.93]	kJ/mol	[248.60; 248.60]
ΔfusH	12.93	kJ/mol	248.60	NIST
ΔfusH	12.93	kJ/mol	248.60	NIST
ΔvapH	[43.81; 58.90]	kJ/mol	[392.50; 471.30]
ΔvapH	58.90	kJ/mol	392.50	NIST
ΔvapH	50.00	kJ/mol	425.00	NIST
ΔvapH	43.81	kJ/mol	471.30	KDB
n0	1.51070		298.15	KDB
ρl	890.00	kg/m3	293.00	KDB
γ	0.03	N/m	298.20	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[346.93; 501.64]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.47275e+01
Coefficient B			-4.18697e+03
Coefficient C			-5.69750e+01
Temperature range, min.			346.93
Temperature range, max.			501.64
Pvap	1.33	kPa	346.93	Calculated Property
Pvap	2.99	kPa	364.12	Calculated Property
Pvap	6.16	kPa	381.31	Calculated Property
Pvap	11.80	kPa	398.50	Calculated Property
Pvap	21.23	kPa	415.69	Calculated Property
Pvap	36.20	kPa	432.88	Calculated Property
Pvap	58.92	kPa	450.07	Calculated Property
Pvap	92.06	kPa	467.26	Calculated Property
Pvap	138.77	kPa	484.45	Calculated Property
Pvap	202.65	kPa	501.64	Calculated Property
Pvap	[8.69e-04; 2905.67]	kPa	[249.46; 679.00]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			8.52013e+01
Coefficient B			-9.20614e+03
Coefficient C			-1.00776e+01
Coefficient D			4.43237e-06
Temperature range, min.			249.46
Temperature range, max.			679.00
Pvap	8.69e-04	kPa	249.46	Calculated Property
Pvap	0.06	kPa	297.19	Calculated Property
Pvap	1.16	kPa	344.91	Calculated Property
Pvap	9.45	kPa	392.64	Calculated Property
Pvap	45.01	kPa	440.37	Calculated Property
Pvap	149.99	kPa	488.09	Calculated Property
Pvap	390.35	kPa	535.82	Calculated Property
Pvap	853.35	kPa	583.55	Calculated Property
Pvap	1646.90	kPa	631.27	Calculated Property
Pvap	2905.67	kPa	679.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1,2,3,5-tetramethyl-.

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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