Chemical Properties of 2-Propenoic acid, 4-methylpentyl ester

InChI

InChI=1S/C9H16O2/c1-4-9(10)11-7-5-6-8(2)3/h4,8H,1,5-7H2,2-3H3

InChI Key

BDMYQVMQTKUZNB-UHFFFAOYSA-N

Formula

C9H16O2

SMILES

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

Molecular Weight¹

156.23

Other Names

• 4-Methylpentyl acrylate
• Isohexyl acrylate

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• 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	0.5391		Relay (1.0) Calculated Property
ΔfH°gas	-446.66	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.63	kJ/mol	Joback Calculated Property
ΔvapH°	51.01	kJ/mol	Relay (1.0) Calculated Property
IE	10.06	eV	Relay (1.0) Calculated Property
log10WS	-2.67		Relay (1.0) Calculated Property
logPoct/wat	2.152		Crippen Calculated Property
McVol	140.810	ml/mol	McGowan Calculated Property
Pc	2433.84	kPa	Joback Calculated Property
Inp	[1035.00; 1036.00]
Inp	1035.00		NIST
Inp	1036.00		NIST
Inp	1036.00		NIST
Inp	1035.00		NIST
I	[1311.00; 1311.00]
I	1311.00		NIST
I	1311.00		NIST
Tboil	444.57	K	Relay (1.0) Calculated Property
Tc	640.17	K	Relay (1.0) Calculated Property
Tfus	213.37	K	Relay (1.0) Calculated Property
Vc	0.512	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	[300.16; 372.04]	J/mol×K	[459.98; 637.63]
Cp,gas	300.16	J/mol×K	459.98	Joback Calculated Property
Cp,gas	313.49	J/mol×K	489.59	Joback Calculated Property
Cp,gas	326.27	J/mol×K	519.20	Joback Calculated Property
Cp,gas	338.51	J/mol×K	548.81	Joback Calculated Property
Cp,gas	350.21	J/mol×K	578.42	Joback Calculated Property
Cp,gas	361.39	J/mol×K	608.02	Joback Calculated Property
Cp,gas	372.04	J/mol×K	637.63	Joback Calculated Property
η	[0.0002159; 0.0088076]	Pa×s	[216.76; 459.98]
η	0.0088076	Pa×s	216.76	Joback Calculated Property
η	0.0029172	Pa×s	257.30	Joback Calculated Property
η	0.0013053	Pa×s	297.83	Joback Calculated Property
η	0.0007082	Pa×s	338.37	Joback Calculated Property
η	0.0004379	Pa×s	378.91	Joback Calculated Property
η	0.0002972	Pa×s	419.44	Joback Calculated Property
η	0.0002159	Pa×s	459.98	Joback Calculated Property

Similar Compounds

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

Sources

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

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