Chemical Properties of 2-Propenoic acid, 2-methyl-, hexyl ester (CAS 142-09-6)

InChI

InChI=1S/C10H18O2/c1-4-5-6-7-8-12-10(11)9(2)3/h2,4-8H2,1,3H3

InChI Key

LNCPIMCVTKXXOY-UHFFFAOYSA-N

Formula

C10H18O2

SMILES

C=C(C)C(=O)OCCCCCC

Molecular Weight¹

170.25

CAS

142-09-6

Other Names

• ENT 25419
• Hexyl 2-methyl-2-propenoate
• Hexyl Methacrylate
• Methacrylic acid n-hexyl ester
• Methacrylic acid, hexyl ester
• n-Hexyl methacrylate

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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_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	0.5930		Relay (1.0) Calculated Property
ΔfH°gas	-454.02	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	23.43	kJ/mol	Joback Calculated Property
ΔvapH°	57.30	kJ/mol	Relay (1.0) Calculated Property
IE	9.68	eV	Relay (1.0) Calculated Property
log10WS	-3.14		Relay (1.0) Calculated Property
logPoct/wat	2.686		Crippen Calculated Property
McVol	154.900	ml/mol	McGowan Calculated Property
Pc	2212.45	kPa	Joback Calculated Property
Inp	[1144.00; 1165.00]
Inp	1161.00		NIST
Inp	1158.00		NIST
Inp	1158.00		NIST
Inp	1164.00		NIST
Inp	Outlier 1144.00		NIST
Inp	1165.00		NIST
Inp	1165.00		NIST
Inp	1165.00		NIST
Inp	1161.00		NIST
Inp	1165.00		NIST
Ip	[1409.00; 1439.00]
Ip	1424.00		NIST
Ip	1435.00		NIST
Ip	1439.00		NIST
Ip	1409.00		NIST
Tboil	467.91	K	Relay (1.0) Calculated Property
Tc	661.46	K	Relay (1.0) Calculated Property
Tfus	216.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Vc	0.593	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[224.30; 514.57]	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			1.65250e+01
Coefficient B			8.78940e-01
Coefficient C			-4.50800e-04
Coefficient D			6.99000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	224.30	J/mol×K	273.00	Calculated Property
Cp,gas	274.15	J/mol×K	353.78	Calculated Property
Cp,gas	319.08	J/mol×K	434.56	Calculated Property
Cp,gas	359.32	J/mol×K	515.33	Calculated Property
Cp,gas	395.09	J/mol×K	596.11	Calculated Property
Cp,gas	426.60	J/mol×K	676.89	Calculated Property
Cp,gas	454.09	J/mol×K	757.67	Calculated Property
Cp,gas	477.76	J/mol×K	838.44	Calculated Property
Cp,gas	497.85	J/mol×K	919.22	Calculated Property
Cp,gas	514.57	J/mol×K	1000.00	Calculated Property

Similar Compounds

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

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
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