Chemical Properties of Allyl propionate

InChI

InChI=1S/C6H10O2/c1-3-5-8-6(7)4-2/h3H,1,4-5H2,2H3

InChI Key

XRFWKHVQMACVTA-UHFFFAOYSA-N

Formula

C6H10O2

SMILES

C=CCOC(=O)CC

Molecular Weight¹

114.14

Other Names

• Propionic acid, allyl ester
• Allyl propionate
• C2H5C(O)OCH2CH=CH2
• Allyl n-propionate

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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	0.3837		Relay (1.0) Calculated Property
ΔfG°	-222.89	kJ/mol	Joback Calculated Property
ΔfH°gas	-350.40	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	14.38	kJ/mol	Joback Calculated Property
ΔvapH°	41.74	kJ/mol	Relay (1.0) Calculated Property
IE	9.75	eV	Relay (1.0) Calculated Property
log10WS	-0.82		Relay (1.0) Calculated Property
logPoct/wat	1.126		Crippen Calculated Property
McVol	98.540	ml/mol	McGowan Calculated Property
Pc	3276.53	kPa	Joback Calculated Property
Inp	[738.00; 818.00]
Inp	777.00		NIST
Inp	774.00		NIST
Inp	767.00		NIST
Inp	793.00		NIST
Inp	Outlier 818.00		NIST
Inp	796.00		NIST
Inp	738.00		NIST
Inp	744.00		NIST
Inp	770.00		NIST
Inp	776.00		NIST
Inp	777.00		NIST
Inp	776.00		NIST
Inp	774.00		NIST
Inp	738.00		NIST
I	[1128.00; 1167.00]
I	1130.00		NIST
I	1167.00		NIST
I	1128.00		NIST
I	1130.00		NIST
Tboil	395.08	K	Relay (1.0) Calculated Property
Tc	580.49	K	Relay (1.0) Calculated Property
Tfus	181.26	K	Relay (1.0) Calculated Property
Vc	0.359	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[181.15; 232.84]	J/mol×K	[391.78; 569.09]
Cp,gas	181.15	J/mol×K	391.78	Joback Calculated Property
Cp,gas	190.65	J/mol×K	421.33	Joback Calculated Property
Cp,gas	199.79	J/mol×K	450.88	Joback Calculated Property
Cp,gas	208.58	J/mol×K	480.44	Joback Calculated Property
Cp,gas	217.01	J/mol×K	509.99	Joback Calculated Property
Cp,gas	225.10	J/mol×K	539.54	Joback Calculated Property
Cp,gas	232.84	J/mol×K	569.09	Joback Calculated Property
η	[0.0002572; 0.0051611]	Pa×s	[197.95; 391.78]
η	0.0051611	Pa×s	197.95	Joback Calculated Property
η	0.0022048	Pa×s	230.25	Joback Calculated Property
η	0.0011612	Pa×s	262.56	Joback Calculated Property
η	0.0007038	Pa×s	294.87	Joback Calculated Property
η	0.0004709	Pa×s	327.17	Joback Calculated Property
η	0.0003387	Pa×s	359.48	Joback Calculated Property
η	0.0002572	Pa×s	391.78	Joback Calculated Property

Similar Compounds

Find more compounds similar to Allyl propionate.

Sources

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

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