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

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

• 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 : 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
I	[1409.00; 1439.00]
I	1424.00		NIST
I	1435.00		NIST
I	1439.00		NIST
I	1409.00		NIST
Tboil	467.91	K	Relay (1.0) Calculated Property
Tc	661.46	K	Relay (1.0) Calculated Property
Tfus	221.78	K	Relay (1.0) Calculated Property
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

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[343.85; 419.89]	J/mol×K	[483.18; 658.77]
Cp,gas	343.85	J/mol×K	483.18	Joback Calculated Property
Cp,gas	357.96	J/mol×K	512.44	Joback Calculated Property
Cp,gas	371.48	J/mol×K	541.71	Joback Calculated Property
Cp,gas	384.42	J/mol×K	570.97	Joback Calculated Property
Cp,gas	396.80	J/mol×K	600.24	Joback Calculated Property
Cp,gas	408.62	J/mol×K	629.50	Joback Calculated Property
Cp,gas	419.89	J/mol×K	658.77	Joback Calculated Property
ΔvapH	50.50	kJ/mol	414.50	NIST

Similar Compounds

Find more compounds similar to 2-Propenoic acid, 2-methyl-, hexyl 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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
These property values are available through the Cheméo API. A free account gives you an access key.