Chemical Properties of Pentanoic acid, 2-propenyl ester (CAS 6321-45-5)

InChI

InChI=1S/C8H14O2/c1-3-5-6-8(9)10-7-4-2/h4H,2-3,5-7H2,1H3

InChI Key

PWYXVVREDGESBB-UHFFFAOYSA-N

Formula

C8H14O2

SMILES

C=CCOC(=O)CCCC

Molecular Weight¹

142.20

CAS

6321-45-5

Other Names

• allyl valerate

• 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	0.4783		Relay (1.0) Calculated Property
ΔfH°gas	-406.12	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	19.56	kJ/mol	Joback Calculated Property
ΔvapH°	47.47	kJ/mol	Relay (1.0) Calculated Property
IE	9.75	eV	Relay (1.0) Calculated Property
log10WS	-1.95		Relay (1.0) Calculated Property
logPoct/wat	1.906		Crippen Calculated Property
McVol	126.720	ml/mol	McGowan Calculated Property
Pc	2659.77	kPa	Joback Calculated Property
Inp	[960.00; 965.00]
Inp	960.00		NIST
Inp	965.00		NIST
I	1256.00		NIST
Tboil	432.58	K	Relay (1.0) Calculated Property
Tc	620.27	K	Relay (1.0) Calculated Property
Tfus	183.69	K	Relay (1.0) Calculated Property
Vc	0.463	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	[258.19; 322.87]	J/mol×K	[437.54; 612.73]
Cp,gas	258.19	J/mol×K	437.54	Joback Calculated Property
Cp,gas	270.13	J/mol×K	466.74	Joback Calculated Property
Cp,gas	281.60	J/mol×K	495.94	Joback Calculated Property
Cp,gas	292.60	J/mol×K	525.13	Joback Calculated Property
Cp,gas	303.14	J/mol×K	554.33	Joback Calculated Property
Cp,gas	313.23	J/mol×K	583.53	Joback Calculated Property
Cp,gas	322.87	J/mol×K	612.73	Joback Calculated Property
η	[0.0002402; 0.0054593]	Pa×s	[220.49; 437.54]
η	0.0054593	Pa×s	220.49	Joback Calculated Property
η	0.0022477	Pa×s	256.67	Joback Calculated Property
η	0.0011523	Pa×s	292.84	Joback Calculated Property
η	0.0006842	Pa×s	329.01	Joback Calculated Property
η	0.0004505	Pa×s	365.19	Joback Calculated Property
η	0.0003198	Pa×s	401.36	Joback Calculated Property
η	0.0002402	Pa×s	437.54	Joback Calculated Property

Similar Compounds

Find more compounds similar to Pentanoic acid, 2-propenyl ester.

Sources

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

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