Chemical Properties of 4-isopropyl-1,2-dimethyl-benzene (CAS 4132-77-8)

InChI

InChI=1S/C11H16/c1-8(2)11-6-5-9(3)10(4)7-11/h5-8H,1-4H3

InChI Key

MGMSKQZIAGFMRU-UHFFFAOYSA-N

Formula

C11H16

SMILES

Cc1ccc(C(C)C)cc1C

Molecular Weight¹

148.25

CAS

4132-77-8

Other Names

• 1,2-Dimethyl-4-isopropylbenzene
• Benzene, 1,2-dimethyl-4-isopropyl

• ω : Acentric Factor.
• 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).
• 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_p : 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.3923		Relay (1.0) Calculated Property
ΔfG°	132.45	kJ/mol	Joback Calculated Property
ΔfH°gas	-59.59	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	13.99	kJ/mol	Joback Calculated Property
ΔvapH°	57.43	kJ/mol	Relay (1.0) Calculated Property
IE	8.18	eV	Relay (1.0) Calculated Property
log10WS	-4.36		Relay (1.0) Calculated Property
logPoct/wat	3.427		Crippen Calculated Property
McVol	142.090	ml/mol	McGowan Calculated Property
Pc	2589.85	kPa	Joback Calculated Property
Inp	[1117.50; 1140.00]
Inp	1130.00		NIST
Inp	1130.00		NIST
Inp	1130.00		NIST
Inp	1117.50		NIST
Inp	1139.00		NIST
Inp	1140.00		NIST
Inp	1140.00		NIST
Inp	1120.00		NIST
Inp	1130.00		NIST
Inp	1130.00		NIST
Ip	[1372.00; 1450.00]
Ip	1372.50		NIST
Ip	1411.00		NIST
Ip	1412.00		NIST
Ip	1423.00		NIST
Ip	1435.00		NIST
Ip	1450.00		NIST
Ip	1399.00		NIST
Ip	1372.00		NIST
Ip	1372.00		NIST
Tboil	473.00 ± 5.00	K	NIST
Tc	685.95	K	Relay (1.0) Calculated Property
Tfus	240.54	K	Relay (1.0) Calculated Property
Vc	0.534	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[186.36; 462.76]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-1.41000e+01
Coefficient B			8.56880e-01
Coefficient C			-4.74920e-04
Coefficient D			9.49000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	186.36	J/mol×K	273.00	Calculated Property
Cp,gas	233.81	J/mol×K	353.78	Calculated Property
Cp,gas	276.37	J/mol×K	434.56	Calculated Property
Cp,gas	314.34	J/mol×K	515.33	Calculated Property
Cp,gas	348.04	J/mol×K	596.11	Calculated Property
Cp,gas	377.75	J/mol×K	676.89	Calculated Property
Cp,gas	403.77	J/mol×K	757.67	Calculated Property
Cp,gas	426.42	J/mol×K	838.44	Calculated Property
Cp,gas	445.98	J/mol×K	919.22	Calculated Property
Cp,gas	462.76	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0024629; 0.0001905]	Pa×s	[250.19; 487.69]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.12621e+01
Coefficient B			1.31492e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			250.19
Temperature range, max.			487.69
η	0.0024629	Pa×s	250.19	Calculated Property
η	0.0014917	Pa×s	276.58	Calculated Property
η	0.0009859	Pa×s	302.97	Calculated Property
η	0.0006963	Pa×s	329.36	Calculated Property
η	0.0005178	Pa×s	355.74	Calculated Property
η	0.0004012	Pa×s	382.13	Calculated Property
η	0.0003212	Pa×s	408.52	Calculated Property
η	0.0002642	Pa×s	434.91	Calculated Property
η	0.0002223	Pa×s	461.30	Calculated Property
η	0.0001905	Pa×s	487.69	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[350.20; 506.13]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.42585e+01
Coefficient B			-3.87977e+03
Coefficient C			-7.24920e+01
Temperature range, min.			350.20
Temperature range, max.			506.13
Pvap	1.33	kPa	350.20	Calculated Property
Pvap	3.03	kPa	367.53	Calculated Property
Pvap	6.28	kPa	384.85	Calculated Property
Pvap	12.07	kPa	402.18	Calculated Property
Pvap	21.71	kPa	419.50	Calculated Property
Pvap	36.95	kPa	436.83	Calculated Property
Pvap	59.92	kPa	454.15	Calculated Property
Pvap	93.17	kPa	471.48	Calculated Property
Pvap	139.65	kPa	488.80	Calculated Property
Pvap	202.65	kPa	506.13	Calculated Property

Similar Compounds

Find more compounds similar to 4-isopropyl-1,2-dimethyl-benzene.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.