Chemical Properties of Benzene, 1,2,3,4-tetramethyl- (CAS 488-23-3)

InChI

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

InChI Key

UOHMMEJUHBCKEE-UHFFFAOYSA-N

Formula

C10H14

SMILES

Cc1ccc(C)c(C)c1C

Molecular Weight¹

134.22

CAS

488-23-3

Other Names

• 1,2,3,4-Tetramethylbenzene
• PREHNITENE
• PREHNITOL

• 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).
• 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).
• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°liquid	[-5845.70; -5827.50]	kJ/mol
ΔcH°liquid	-5845.70 ± 1.10	kJ/mol	NIST
ΔcH°liquid	-5839.60 ± 3.00	kJ/mol	NIST
ΔcH°liquid	-5827.50 ± 5.90	kJ/mol	NIST
ΔfG°	116.84	kJ/mol	Joback Calculated Property
ΔfH°gas	[-43.80; -36.00]	kJ/mol
ΔfH°gas	-36.00 ± 1.40	kJ/mol	NIST
ΔfH°gas	-37.60 ± 1.20	kJ/mol	NIST
ΔfH°gas	-43.80 ± 3.00	kJ/mol	NIST
ΔfH°liquid	[-96.40; -90.20]	kJ/mol
ΔfH°liquid	-90.20 ± 1.20	kJ/mol	NIST
ΔfH°liquid	-96.40 ± 3.00	kJ/mol	NIST
ΔfusH°	14.53	kJ/mol	Joback Calculated Property
ΔvapH°	[52.56; 57.20]	kJ/mol
ΔvapH°	54.00	kJ/mol	NIST
ΔvapH°	52.56 ± 0.17	kJ/mol	NIST
ΔvapH°	52.60 ± 0.20	kJ/mol	NIST
ΔvapH°	57.20	kJ/mol	NIST
IE	[8.14; 8.18]	eV
IE	8.14	eV	NIST
IE	8.18	eV	NIST
IE	8.14	eV	NIST
log10WS	-3.37		Crippen Calculated Property
logPoct/wat	2.920		Crippen Calculated Property
McVol	128.000	ml/mol	McGowan Calculated Property
Pc	2793.56	kPa	Joback Calculated Property
Inp	[1120.00; 1187.00]
Inp	1159.80		NIST
Inp	Outlier 1169.40		NIST
Inp	1140.90		NIST
Inp	1139.00		NIST
Inp	1139.00		NIST
Inp	1139.00		NIST
Inp	1139.00		NIST
Inp	1136.00		NIST
Inp	1127.50		NIST
Inp	1129.20		NIST
Inp	1132.70		NIST
Inp	1135.00		NIST
Inp	1129.20		NIST
Inp	1132.70		NIST
Inp	1139.00		NIST
Inp	1125.98		NIST
Inp	1160.00		NIST
Inp	1165.00		NIST
Inp	1168.00		NIST
Inp	1136.00		NIST
Inp	1125.60		NIST
Inp	1150.40		NIST
Inp	1133.00		NIST
Inp	Outlier 1187.00		NIST
Inp	1147.00		NIST
Inp	1142.00		NIST
Inp	1120.00		NIST
Inp	1122.00		NIST
Inp	1145.30		NIST
Inp	1149.90		NIST
Inp	1148.20		NIST
Inp	1144.20		NIST
Inp	1149.90		NIST
Inp	1153.80		NIST
Inp	Outlier 1175.20		NIST
Inp	1144.20		NIST
Inp	1149.90		NIST
Inp	1153.80		NIST
Inp	1149.90		NIST
Inp	1148.20		NIST
Inp	1135.84		NIST
Inp	1136.00		NIST
Inp	1133.00		NIST
Inp	1144.00		NIST
Inp	1142.00		NIST
Inp	1127.00		NIST
Inp	1142.00		NIST
Inp	1142.00		NIST
Inp	1148.00		NIST
Inp	1147.00		NIST
Inp	1162.00		NIST
Inp	1151.00		NIST
Inp	1153.00		NIST
Inp	1149.00		NIST
Inp	1144.00		NIST
Inp	1161.40		NIST
Inp	1130.00		NIST
Inp	1132.00		NIST
Inp	1145.00		NIST
Inp	1151.00		NIST
Inp	1128.00		NIST
Inp	1128.00		NIST
Inp	1131.00		NIST
Inp	1135.00		NIST
Inp	1138.00		NIST
Inp	1125.00		NIST
Inp	1159.80		NIST
Inp	1139.00		NIST
Inp	1132.70		NIST
Inp	1125.98		NIST
Inp	1125.60		NIST
Inp	1144.00		NIST
Inp	1150.40		NIST
Inp	1145.00		NIST
Inp	1135.00		NIST
Inp	1148.00		NIST
Inp	1149.00		NIST
Inp	1147.00		NIST
I	[1430.00; 1505.10]
I	1505.10		NIST
I	1461.60		NIST
I	1456.00		NIST
I	1434.70		NIST
I	1436.00		NIST
I	1430.00		NIST
I	1493.00		NIST
I	1495.00		NIST
I	1435.00		NIST
I	1462.00		NIST
I	1464.00		NIST
I	1476.00		NIST
I	1462.00		NIST
I	1462.00		NIST
I	1505.10		NIST
S°liquid	290.80	J/mol×K	NIST
Tboil	469.82	K	Joback Calculated Property
Tc	678.39	K	Joback Calculated Property
Tfus	[265.50; 266.82]	K
Tfus	266.82 ± 0.20	K	NIST
Tfus	265.50 ± 1.00	K	NIST
Tfus	265.75 ± 2.50	K	NIST
Tfus	266.75 ± 0.10	K	NIST
Ttriple	265.40 ± 0.30	K	NIST
Vc	0.487	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[258.77; 332.37]	J/mol×K	[469.82; 678.39]
T(K) Ideal gas heat capacity (J/mol×K) 260 270 280 290 300 310 320 330 500 550 600 650
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	[236.00; 244.30]	J/mol×K	[291.90; 298.00]
Cp,liquid	236.00	J/mol×K	291.90	NIST
Cp,liquid	244.30	J/mol×K	298.00	NIST
η	[0.0001983; 0.0012469]	Pa×s	[266.44; 469.82]
T(K) Dynamic viscosity (Pa×s) 2.00e-4 4.00e-4 6.00e-4 8.00e-4 1.00e-3 1.20e-3 300 350 400 450
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	[11.23; 11.23]	kJ/mol	[265.40; 265.40]
ΔfusH	11.23	kJ/mol	265.40	NIST
ΔfusH	11.23	kJ/mol	265.40	NIST
ΔfusH	11.23	kJ/mol	265.40	NIST
ΔvapH	[50.70; 55.70]	kJ/mol	[396.50; 430.50]
ΔvapH	55.70	kJ/mol	396.50	NIST
ΔvapH	50.70	kJ/mol	430.50	NIST
ΔfusS	42.30	J/mol×K	265.40	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[353.60; 508.82]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.46818e+01
Coefficient B			-4.16744e+03
Coefficient C			-6.40760e+01
Temperature range, min.			353.60
Temperature range, max.			508.82
T(K) Vapor pressure (kPa) 0 50 100 150 200 350 400 450 500
Pvap	1.33	kPa	353.60	Calculated Property
Pvap	3.00	kPa	370.85	Calculated Property
Pvap	6.17	kPa	388.09	Calculated Property
Pvap	11.82	kPa	405.34	Calculated Property
Pvap	21.27	kPa	422.59	Calculated Property
Pvap	36.27	kPa	439.83	Calculated Property
Pvap	59.01	kPa	457.08	Calculated Property
Pvap	92.16	kPa	474.33	Calculated Property
Pvap	138.85	kPa	491.57	Calculated Property
Pvap	202.64	kPa	508.82	Calculated Property
Pvap	[1.30; 2832.30]	kPa	[352.15; 695.10]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			9.69035e+01
Coefficient B			-9.94657e+03
Coefficient C			-1.17674e+01
Coefficient D			4.88689e-06
Temperature range, min.			352.15
Temperature range, max.			695.10
T(K) Vapor pressure (kPa) 0 500 1000 1500 2000 2500 3000 400 500 600 700
Pvap	1.30	kPa	352.15	Calculated Property
Pvap	7.01	kPa	390.26	Calculated Property
Pvap	26.32	kPa	428.36	Calculated Property
Pvap	76.02	kPa	466.47	Calculated Property
Pvap	180.93	kPa	504.57	Calculated Property
Pvap	372.64	kPa	542.68	Calculated Property
Pvap	688.03	kPa	580.78	Calculated Property
Pvap	1169.00	kPa	618.89	Calculated Property
Pvap	1864.14	kPa	656.99	Calculated Property
Pvap	2832.30	kPa	695.10	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1,2,3,4-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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