Chemical Properties of 1,2,5-Trimethyl-3-ethylbenzene (CAS 18262-85-6)

InChI

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

InChI Key

GGYNNCOYZVGAPR-UHFFFAOYSA-N

Formula

C11H16

SMILES

CCc1cc(C)cc(C)c1C

Molecular Weight¹

148.24

CAS

18262-85-6

Other Names

• Benzene, 3-ethyl-1,2,5-trimethyl
• Benzene, 1,2,5-trimethyl-3-ethyl
• Benzene, 1-ethyl-2,3,5-trimethyl
• 3-Ethyl-1,2,4-trimethylbenzene

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• 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	0.4243		Relay (1.0) Calculated Property
ΔfG°	125.26	kJ/mol	Joback Calculated Property
ΔfH°gas	-52.46	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.12	kJ/mol	Joback Calculated Property
ΔvapH°	58.74	kJ/mol	Relay (1.0) Calculated Property
IE	8.08	eV	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	[1178.00; 1185.50]
Inp	1184.30		NIST
Inp	1184.40		NIST
Inp	1185.50		NIST
Inp	1184.00		NIST
Inp	1184.00		NIST
Inp	1185.00		NIST
Inp	Outlier 1178.00		NIST
Inp	1182.00		NIST
Inp	1184.30		NIST
Inp	1185.00		NIST
I	[1401.00; 1401.10]
I	1401.10		NIST
I	1401.00		NIST
I	1401.00		NIST
Tboil	482.46	K	Relay (1.0) Calculated Property
Tc	685.80	K	Relay (1.0) Calculated Property
Tfus	239.43	K	Relay (1.0) Calculated Property
Vc	0.533	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

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
ΔvapH	61.30	kJ/mol	417.50	NIST

Similar Compounds

Find more compounds similar to 1,2,5-Trimethyl-3-ethylbenzene.

Sources

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

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.
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