Chemical Properties of 1,2,3-Trimethyl-4-Ethylbenzene (CAS 61827-86-9)

InChI

InChI=1S/C11H16/c1-5-11-7-6-8(2)9(3)10(11)4/h6-7H,5H2,1-4H3

InChI Key

BAMWORSGQSUNSC-UHFFFAOYSA-N

Formula

C11H16

SMILES

CCc1ccc(C)c(C)c1C

Molecular Weight¹

148.24

CAS

61827-86-9

Other Names

• Benzene, 1,2,3-trimethyl-4-ethyl
• Benzene, 1-ethyl-2,3,4-trimethyl-

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

Physical Properties

Property	Value	Unit	Source
ω	0.4065		Relay (1.0) Calculated Property
ΔfG°	125.26	kJ/mol	Joback Calculated Property
ΔfH°gas	-59.49	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.12	kJ/mol	Joback Calculated Property
ΔvapH°	60.80	kJ/mol	Relay (1.0) Calculated Property
IE	8.02	eV	Relay (1.0) Calculated Property
log10WS	-4.24		Relay (1.0) Calculated Property
logPoct/wat	3.174		Crippen Calculated Property
McVol	142.090	ml/mol	McGowan Calculated Property
Pc	2530.27	kPa	Joback Calculated Property
Inp	[1222.00; 1222.00]
Inp	1222.00		NIST
Inp	1222.00		NIST
I	[1503.80; 1504.00]
I	1504.00		NIST
I	1503.80		NIST
I	1504.00		NIST
I	1504.00		NIST
Tboil	487.24	K	Relay (1.0) Calculated Property
Tc	695.32	K	Relay (1.0) Calculated Property
Tfus	250.21	K	Relay (1.0) Calculated Property
Vc	0.532	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[302.13; 381.36]	J/mol×K	[492.90; 698.64]
Cp,gas	302.13	J/mol×K	492.90	Joback Calculated Property
Cp,gas	317.00	J/mol×K	527.19	Joback Calculated Property
Cp,gas	331.18	J/mol×K	561.48	Joback Calculated Property
Cp,gas	344.69	J/mol×K	595.77	Joback Calculated Property
Cp,gas	357.55	J/mol×K	630.06	Joback Calculated Property
Cp,gas	369.76	J/mol×K	664.35	Joback Calculated Property
Cp,gas	381.36	J/mol×K	698.64	Joback Calculated Property
η	[0.0001941; 0.0013334]	Pa×s	[277.71; 492.90]
η	0.0013334	Pa×s	277.71	Joback Calculated Property
η	0.0008048	Pa×s	313.58	Joback Calculated Property
η	0.0005388	Pa×s	349.44	Joback Calculated Property
η	0.0003887	Pa×s	385.31	Joback Calculated Property
η	0.0002965	Pa×s	421.17	Joback Calculated Property
η	0.0002359	Pa×s	457.03	Joback Calculated Property
η	0.0001941	Pa×s	492.90	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2,3-Trimethyl-4-Ethylbenzene.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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