Chemical Properties of Formic acid, 2-propenyl ester (CAS 1838-59-1)

InChI

InChI=1S/C4H6O2/c1-2-3-6-4-5/h2,4H,1,3H2

InChI Key

ZHHZHHSFKCANOC-UHFFFAOYSA-N

Formula

C4H6O2

SMILES

C=CCOC=O

Molecular Weight¹

86.09

CAS

1838-59-1

Other Names

• 2-Propenyl ester of formic acid
• Allyl formate
• Allylester kyseliny mravenci
• Formic acid, allyl ester
• UN 2336

• 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).
• 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).
• P_vap : Vapor 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
ΔfG°	-133.88	kJ/mol	Joback Calculated Property
ΔfH°gas	-218.26	kJ/mol	Joback Calculated Property
ΔfusH°	8.31	kJ/mol	Joback Calculated Property
ΔvapH°	32.96	kJ/mol	Joback Calculated Property
log10WS	-0.21		Crippen Calculated Property
logPoct/wat	0.345		Crippen Calculated Property
McVol	70.360	ml/mol	McGowan Calculated Property
Pc	4426.72	kPa	Joback Calculated Property
Inp	[550.00; 586.00]
Inp	550.00		NIST
Inp	558.00		NIST
Inp	571.00		NIST
Inp	586.00		NIST
I	[957.00; 957.00]
I	957.00		NIST
I	957.00		NIST
Tboil	358.68	K	Joback Calculated Property
Tc	536.29	K	Joback Calculated Property
Tfus	197.31	K	Joback Calculated Property
Vc	0.276	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[118.99; 151.83]	J/mol×K	[358.68; 536.29]
Cp,gas	118.99	J/mol×K	358.68	Joback Calculated Property
Cp,gas	124.92	J/mol×K	388.28	Joback Calculated Property
Cp,gas	130.66	J/mol×K	417.88	Joback Calculated Property
Cp,gas	136.22	J/mol×K	447.49	Joback Calculated Property
Cp,gas	141.61	J/mol×K	477.09	Joback Calculated Property
Cp,gas	146.81	J/mol×K	506.69	Joback Calculated Property
Cp,gas	151.83	J/mol×K	536.29	Joback Calculated Property
η	[0.0002708; 0.0022915]	Pa×s	[197.31; 358.68]
η	0.0022915	Pa×s	197.31	Joback Calculated Property
η	0.0012966	Pa×s	224.20	Joback Calculated Property
η	0.0008289	Pa×s	251.10	Joback Calculated Property
η	0.0005778	Pa×s	278.00	Joback Calculated Property
η	0.0004292	Pa×s	304.89	Joback Calculated Property
η	0.0003346	Pa×s	331.78	Joback Calculated Property
η	0.0002708	Pa×s	358.68	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 409.21]	kPa	[266.10; 378.48]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.75191e+01
Coefficient B			-3.89041e+03
Coefficient C			-4.03260e+01
Temperature range, min.			266.10
Temperature range, max.			378.48
Pvap	1.33	kPa	266.10	Calculated Property
Pvap	3.29	kPa	278.59	Calculated Property
Pvap	7.42	kPa	291.07	Calculated Property
Pvap	15.48	kPa	303.56	Calculated Property
Pvap	30.24	kPa	316.05	Calculated Property
Pvap	55.72	kPa	328.53	Calculated Property
Pvap	97.61	kPa	341.02	Calculated Property
Pvap	163.50	kPa	353.51	Calculated Property
Pvap	263.25	kPa	365.99	Calculated Property
Pvap	409.21	kPa	378.48	Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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