Chemical Properties of Benzene, 1,4-bis(1-methylethyl)- (CAS 100-18-5)

InChI

InChI=1S/C12H18/c1-9(2)11-5-7-12(8-6-11)10(3)4/h5-10H,1-4H3

InChI Key

SPPWGCYEYAMHDT-UHFFFAOYSA-N

Formula

C12H18

SMILES

CC(C)c1ccc(C(C)C)cc1

Molecular Weight¹

162.27

CAS

100-18-5

Other Names

• 1,4-BIS(1-METHYLETHYL)BENZENE
• 1,4-DIISOPROPYLBENZENE
• 4-Isopropylcumene
• Benzene, 1,4-di-(1-methylethyl)
• Benzene, 1,4-diisopropyl-
• Benzene, p-diisopropyl-
• p-Diisopropylbenzene
• p-bis(1-methylethyl)benzene

• 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_fH°_liquid : Liquid phase 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).
• 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).
• ρ_l : Liquid Density (kg/m³).
• 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).
• Z_c : Critical Compressibility.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	148.06	kJ/mol	Joback Calculated Property
ΔfH°gas	-76.51	kJ/mol	Joback Calculated Property
ΔfH°liquid	-132.30	kJ/mol	NIST
ΔfusH°	13.44	kJ/mol	Joback Calculated Property
ΔvapH°	56.50 ± 0.30	kJ/mol	NIST
IE	8.35	eV	NIST
log10WS	-3.84		Crippen Calculated Property
logPoct/wat	3.933		Crippen Calculated Property
McVol	156.180	ml/mol	McGowan Calculated Property
Pc	[2358.00; 9777.86]	kPa
Pc	2358.00	kPa	KDB
Pc	2360.00	kPa	Critica...
Pc	9777.86 ± 405.30	kPa	NIST
Inp	[1143.00; 1183.00]
Inp	1152.70		NIST
Inp	1152.10		NIST
Inp	1168.70		NIST
Inp	1168.90		NIST
Inp	1160.00		NIST
Inp	1160.00		NIST
Inp	1162.00		NIST
Inp	1167.00		NIST
Inp	1171.00		NIST
Inp	1151.20		NIST
Inp	1153.40		NIST
Inp	1161.60		NIST
Inp	1166.70		NIST
Inp	1171.30		NIST
Inp	1151.20		NIST
Inp	1153.40		NIST
Inp	1154.00		NIST
Inp	1148.55		NIST
Inp	1152.00		NIST
Inp	1158.00		NIST
Inp	1179.00		NIST
Inp	1159.50		NIST
Inp	Outlier 1183.00		NIST
Inp	1170.10		NIST
Inp	1173.40		NIST
Inp	1174.70		NIST
Inp	1154.40		NIST
Inp	1160.90		NIST
Inp	1170.10		NIST
Inp	1173.40		NIST
Inp	1174.70		NIST
Inp	1160.00		NIST
Inp	1158.00		NIST
Inp	1162.00		NIST
Inp	1162.00		NIST
Inp	1162.00		NIST
Inp	1167.00		NIST
Inp	1167.00		NIST
Inp	Outlier 1143.00		NIST
Inp	1157.00		NIST
Inp	1162.00		NIST
Inp	1168.00		NIST
Inp	1161.00		NIST
Inp	1158.00		NIST
I	[1358.00; 1435.00]
I	1380.70		NIST
I	1417.60		NIST
I	1404.00		NIST
I	1402.00		NIST
I	1402.00		NIST
I	1412.00		NIST
I	1426.00		NIST
I	1435.00		NIST
I	1392.00		NIST
I	Outlier 1358.00		NIST
I	1418.00		NIST
Tboil	[477.00; 483.52]	K
Tboil	483.45	K	KDB
Tboil	483.50	K	NIST
Tboil	483.52 ± 2.00	K	NIST
Tboil	483.50 ± 2.00	K	NIST
Tboil	477.00 ± 8.00	K	NIST
Tboil	477.65 ± 1.50	K	NIST
Tc	[674.75; 794.15]	K
Tc	674.75	K	KDB
Tc	794.15 ± 3.00	K	NIST
Tfus	[256.05; 256.12]	K
Tfus	256.05	K	KDB
Tfus	256.07 ± 0.05	K	NIST
Tfus	256.11 ± 0.02	K	NIST
Tfus	256.11 ± 0.02	K	NIST
Tfus	256.12 ± 0.01	K	NIST
Tfus	256.08 ± 1.00	K	NIST
Vc	0.584	m3/kmol	KDB
Zc	0.2455420		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[346.60; 437.55]	J/mol×K	[504.74; 714.27]
T(K) Ideal gas heat capacity (J/mol×K) 340 360 380 400 420 440 500 600 700
Cp,gas	346.60	J/mol×K	504.74	Joback Calculated Property
Cp,gas	364.01	J/mol×K	539.66	Joback Calculated Property
Cp,gas	380.47	J/mol×K	574.58	Joback Calculated Property
Cp,gas	396.02	J/mol×K	609.51	Joback Calculated Property
Cp,gas	410.70	J/mol×K	644.43	Joback Calculated Property
Cp,gas	424.53	J/mol×K	679.35	Joback Calculated Property
Cp,gas	437.55	J/mol×K	714.27	Joback Calculated Property
η	[0.0001786; 0.0055461]	Pa×s	[233.94; 504.74]
T(K) Dynamic viscosity (Pa×s) 0 1.00e-3 2.00e-3 3.00e-3 4.00e-3 5.00e-3 6.00e-3 300 400 500
η	0.0055461	Pa×s	233.94	Joback Calculated Property
η	0.0019687	Pa×s	279.07	Joback Calculated Property
η	0.0009324	Pa×s	324.21	Joback Calculated Property
η	0.0005301	Pa×s	369.34	Joback Calculated Property
η	0.0003408	Pa×s	414.47	Joback Calculated Property
η	0.0002390	Pa×s	459.61	Joback Calculated Property
η	0.0001786	Pa×s	504.74	Joback Calculated Property
ΔvapH	[39.30; 56.30]	kJ/mol	[300.50; 448.00]
T(K) Enthalpy of vaporization at a given temperature (kJ/mol) 40 45 50 55 300 350 400 450
ΔvapH	56.30 ± 0.30	kJ/mol	300.50	NIST
ΔvapH	48.90	kJ/mol	439.00	NIST
ΔvapH	47.60	kJ/mol	439.00	NIST
ΔvapH	46.30 ± 0.30	kJ/mol	448.00	NIST
ΔvapH	43.00 ± 0.50	kJ/mol	448.00	NIST
ΔvapH	39.30 ± 0.90	kJ/mol	448.00	NIST
ΔvapH	50.70 ± 0.20	kJ/mol	448.00	NIST
ρl	860.05	kg/m3	293.10	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[358.40; 533.06]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.34508e+01
Coefficient B			-3.72488e+03
Coefficient C			-7.54240e+01
Temperature range, min.			358.40
Temperature range, max.			533.06
T(K) Vapor pressure (kPa) 0 50 100 150 200 400 450 500
Pvap	1.33	kPa	358.40	Calculated Property
Pvap	3.10	kPa	377.81	Calculated Property
Pvap	6.52	kPa	397.21	Calculated Property
Pvap	12.60	kPa	416.62	Calculated Property
Pvap	22.67	kPa	436.03	Calculated Property
Pvap	38.43	kPa	455.43	Calculated Property
Pvap	61.87	kPa	474.84	Calculated Property
Pvap	95.31	kPa	494.25	Calculated Property
Pvap	141.31	kPa	513.65	Calculated Property
Pvap	202.64	kPa	533.06	Calculated Property
Pvap	[6.84e-04; 2418.17]	kPa	[256.08; 689.00]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			8.62940e+01
Coefficient B			-9.69497e+03
Coefficient C			-1.00850e+01
Coefficient D			3.10925e-06
Temperature range, min.			256.08
Temperature range, max.			689.00
T(K) Vapor pressure (kPa) 0 500 1000 1500 2000 2500 300 400 500 600
Pvap	6.84e-04	kPa	256.08	Calculated Property
Pvap	0.05	kPa	304.18	Calculated Property
Pvap	1.02	kPa	352.28	Calculated Property
Pvap	8.54	kPa	400.39	Calculated Property
Pvap	41.44	kPa	448.49	Calculated Property
Pvap	138.67	kPa	496.59	Calculated Property
Pvap	357.64	kPa	544.69	Calculated Property
Pvap	765.46	kPa	592.80	Calculated Property
Pvap	1430.30	kPa	640.90	Calculated Property
Pvap	2418.17	kPa	689.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1,4-bis(1-methylethyl)-.

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Crippen Method
• Critical Point and Vapor Pressure Measurements for 17 Compounds by a Low Residence Time Flow Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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