Chemical Properties of Propanoic acid, 2-methyl-, 2-propenyl ester (CAS 15727-77-2)

InChI

InChI=1S/C7H12O2/c1-4-5-9-7(8)6(2)3/h4,6H,1,5H2,2-3H3

InChI Key

QNBDJTKBKITRJI-UHFFFAOYSA-N

Formula

C7H12O2

SMILES

C=CCOC(=O)C(C)C

Molecular Weight¹

128.17

CAS

15727-77-2

Other Names

• Isobutyric acid, allyl ester
• allyl isobutyrate

• 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	0.4002		Relay (1.0) Calculated Property
ΔfH°gas	-379.14	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	13.45	kJ/mol	Joback Calculated Property
ΔvapH°	42.39	kJ/mol	Relay (1.0) Calculated Property
IE	9.74	eV	Relay (1.0) Calculated Property
log10WS	-1.28		Relay (1.0) Calculated Property
logPoct/wat	1.372		Crippen Calculated Property
McVol	112.630	ml/mol	McGowan Calculated Property
Pc	2969.80	kPa	Joback Calculated Property
Inp	[815.00; 820.00]
Inp	815.00		NIST
Inp	820.00		NIST
Inp	815.00		NIST
Inp	820.00		NIST
I	[1090.00; 1090.00]
I	1090.00		NIST
I	1090.00		NIST
Tboil	395.83	K	Relay (1.0) Calculated Property
Tc	591.49	K	Relay (1.0) Calculated Property
Tfus	180.91	K	Relay (1.0) Calculated Property
Vc	0.410	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	[218.54; 278.70]	J/mol×K	[414.22; 594.63]
Cp,gas	218.54	J/mol×K	414.22	Joback Calculated Property
Cp,gas	229.66	J/mol×K	444.29	Joback Calculated Property
Cp,gas	240.33	J/mol×K	474.36	Joback Calculated Property
Cp,gas	250.57	J/mol×K	504.42	Joback Calculated Property
Cp,gas	260.38	J/mol×K	534.49	Joback Calculated Property
Cp,gas	269.75	J/mol×K	564.56	Joback Calculated Property
Cp,gas	278.70	J/mol×K	594.63	Joback Calculated Property
η	[0.0002411; 0.0092075]	Pa×s	[194.22; 414.22]
η	0.0092075	Pa×s	194.22	Joback Calculated Property
η	0.0030985	Pa×s	230.89	Joback Calculated Property
η	0.0014054	Pa×s	267.55	Joback Calculated Property
η	0.0007713	Pa×s	304.22	Joback Calculated Property
η	0.0004816	Pa×s	340.89	Joback Calculated Property
η	0.0003295	Pa×s	377.55	Joback Calculated Property
η	0.0002411	Pa×s	414.22	Joback Calculated Property

Similar Compounds

Find more compounds similar to Propanoic acid, 2-methyl-, 2-propenyl 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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