Chemical Properties of 2-Propenoic acid, 2-methyl-, 4-methylpentyl ester (CAS 7766-61-2)

InChI

InChI=1S/C10H18O2/c1-8(2)6-5-7-12-10(11)9(3)4/h8H,3,5-7H2,1-2,4H3

InChI Key

TZCGFWIYMJNJIO-UHFFFAOYSA-N

Formula

C10H18O2

SMILES

C=C(C)C(=O)OCCCC(C)C

Molecular Weight¹

170.25

CAS

7766-61-2

Other Names

• Isohexyl methacrylate
• 4-methylpentyl methacrylate

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	19.91	kJ/mol	Joback Calculated Property
ΔvapH°	55.27	kJ/mol	Relay (1.0) Calculated Property
log10WS	-2.88		Relay (1.0) Calculated Property
logPoct/wat	2.542		Crippen Calculated Property
McVol	154.900	ml/mol	McGowan Calculated Property
Pc	2229.20	kPa	Joback Calculated Property
Inp	[1122.00; 1123.00]
Inp	1122.00		NIST
Inp	1123.00		NIST
I	[1352.00; 1370.00]
I	1370.00		NIST
I	1352.00		NIST
I	1370.00		NIST
Tboil	461.49	K	Relay (1.0) Calculated Property
Tc	652.86	K	Relay (1.0) Calculated Property
Tfus	219.27	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[344.01; 421.80]	J/mol×K	[482.74; 662.02]
Cp,gas	344.01	J/mol×K	482.74	Joback Calculated Property
Cp,gas	358.49	J/mol×K	512.62	Joback Calculated Property
Cp,gas	372.35	J/mol×K	542.50	Joback Calculated Property
Cp,gas	385.59	J/mol×K	572.38	Joback Calculated Property
Cp,gas	398.25	J/mol×K	602.26	Joback Calculated Property
Cp,gas	410.31	J/mol×K	632.14	Joback Calculated Property
Cp,gas	421.80	J/mol×K	662.02	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Propenoic acid, 2-methyl-, 4-methylpentyl ester.

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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