Chemical Properties of Benzene, 1,2-bis(1-methylethyl)- (CAS 577-55-9)

InChI

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

InChI Key

OKIRBHVFJGXOIS-UHFFFAOYSA-N

Formula

C12H18

SMILES

CC(C)c1ccccc1C(C)C

Molecular Weight¹

162.27

CAS

577-55-9

Other Names

• 1,2-DIISOPROPYLBENZENE
• 1,2-bis(1-methylethyl)benzene
• Benzene, 1,2-di-(1-methylethyl)
• Benzene, o-diisopropyl-
• o-Diisopropylbenzene

• 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).
• 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
ΔfusH°	13.44	kJ/mol	Joback Calculated Property
ΔvapH°	44.47	kJ/mol	Joback Calculated Property
log10WS	-3.84		Crippen Calculated Property
logPoct/wat	3.933		Crippen Calculated Property
McVol	156.180	ml/mol	McGowan Calculated Property
Pc	2446.00	kPa	KDB
Inp	[1118.10; 1162.20]
Inp	1150.00		NIST
Inp	1152.00		NIST
Inp	1157.00		NIST
Inp	1162.00		NIST
Inp	1118.10		NIST
Inp	1120.30		NIST
Inp	1152.40		NIST
Inp	1157.20		NIST
Inp	1162.20		NIST
Inp	1118.10		NIST
Inp	1120.30		NIST
Inp	1153.05		NIST
Inp	1161.00		NIST
Inp	1127.00		NIST
Inp	1156.00		NIST
Inp	1157.00		NIST
Inp	1127.00		NIST
Inp	1153.00		NIST
Inp	1151.00		NIST
I	[1343.00; 1417.00]
I	1386.00		NIST
I	1387.00		NIST
I	1396.00		NIST
I	1405.00		NIST
I	1417.00		NIST
I	1378.00		NIST
I	Outlier 1343.00		NIST
Tboil	[447.15; 477.00]	K
Tboil	447.15	K	KDB
Tboil	477.00 ± 3.00	K	NIST
Tboil	476.90 ± 10.00	K	NIST
Tc	668.95	K	KDB
Tfus	[216.47; 216.49]	K
Tfus	216.49	K	KDB
Tfus	216.47 ± 4.00	K	NIST
Vc	0.583	m3/kmol	KDB
Zc	0.2563420		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[346.60; 437.55]	J/mol×K	[504.74; 714.27]
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]
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	48.90	kJ/mol	432.00	NIST
ρl	876.28	kg/m3	293.10	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[349.64; 510.53]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.32128e+01
Coefficient B			-3.27062e+03
Coefficient C			-9.65990e+01
Temperature range, min.			349.64
Temperature range, max.			510.53
Pvap	1.33	kPa	349.64	Calculated Property
Pvap	3.13	kPa	367.52	Calculated Property
Pvap	6.60	kPa	385.39	Calculated Property
Pvap	12.78	kPa	403.27	Calculated Property
Pvap	23.00	kPa	421.15	Calculated Property
Pvap	38.92	kPa	439.02	Calculated Property
Pvap	62.51	kPa	456.90	Calculated Property
Pvap	96.01	kPa	474.78	Calculated Property
Pvap	141.85	kPa	492.65	Calculated Property
Pvap	202.64	kPa	510.53	Calculated Property
Pvap	[6.58; 99.53]	kPa	[388.15; 476.15]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			1.16259e+02
Coefficient B			-1.08049e+04
Coefficient C			-1.47083e+01
Coefficient D			7.59221e-06
Temperature range, min.			388.15
Temperature range, max.			476.15
Pvap	6.58	kPa	388.15	Calculated Property
Pvap	9.59	kPa	397.93	Calculated Property
Pvap	13.66	kPa	407.71	Calculated Property
Pvap	19.06	kPa	417.48	Calculated Property
Pvap	26.10	kPa	427.26	Calculated Property
Pvap	35.14	kPa	437.04	Calculated Property
Pvap	46.54	kPa	446.82	Calculated Property
Pvap	60.76	kPa	456.59	Calculated Property
Pvap	78.25	kPa	466.37	Calculated Property
Pvap	99.53	kPa	476.15	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1,2-bis(1-methylethyl)-.

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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