Chemical Properties of 2-Propenoic acid, 2-methyl-, pentyl ester (CAS 2849-98-1)

InChI

InChI=1S/C9H16O2/c1-4-5-6-7-11-9(10)8(2)3/h2,4-7H2,1,3H3

InChI Key

GYDSPAVLTMAXHT-UHFFFAOYSA-N

Formula

C9H16O2

SMILES

C=C(C)C(=O)OCCCCC

Molecular Weight¹

156.22

CAS

2849-98-1

Other Names

• amyl methacrylate
• methacrylic acid, pentyl ester
• pentyl 2-methyl-2-propenoate
• pentyl 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 : 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	0.5514		Relay (1.0) Calculated Property
ΔfH°gas	-432.26	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.85	kJ/mol	Joback Calculated Property
ΔvapH°	52.31	kJ/mol	Relay (1.0) Calculated Property
IE	9.72	eV	Relay (1.0) Calculated Property
log10WS	-2.60		Relay (1.0) Calculated Property
logPoct/wat	2.296		Crippen Calculated Property
McVol	140.810	ml/mol	McGowan Calculated Property
Pc	2426.65	kPa	Joback Calculated Property
Inp	[1052.00; 1065.00]
Inp	1062.00		NIST
Inp	1065.00		NIST
Inp	Outlier 1052.00		NIST
Inp	1064.00		NIST
Inp	1061.00		NIST
Inp	1064.00		NIST
I	[1314.00; 1328.00]
I	1328.00		NIST
I	1314.00		NIST
I	1328.00		NIST
Tboil	448.77	K	Relay (1.0) Calculated Property
Tc	643.70	K	Relay (1.0) Calculated Property
Tfus	215.23	K	Relay (1.0) Calculated Property
Vc	0.537	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	[299.95; 371.08]	J/mol×K	[460.30; 637.37]
Cp,gas	299.95	J/mol×K	460.30	Joback Calculated Property
Cp,gas	313.13	J/mol×K	489.81	Joback Calculated Property
Cp,gas	325.77	J/mol×K	519.32	Joback Calculated Property
Cp,gas	337.87	J/mol×K	548.83	Joback Calculated Property
Cp,gas	349.45	J/mol×K	578.35	Joback Calculated Property
Cp,gas	360.52	J/mol×K	607.86	Joback Calculated Property
Cp,gas	371.08	J/mol×K	637.37	Joback Calculated Property
ΔvapH	47.60	kJ/mol	397.50	NIST

Similar Compounds

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

Mixtures

• Carbon dioxide + 2-Propenoic acid, 2-methyl-, pentyl ester

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• High-Pressure Phase Behavior for Pentyl Acrylate and Pentyl Methacrylate in Supercritical Carbon Dioxide
• 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.
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