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

• 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).
• 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
ω	0.3338		Relay (1.0) Calculated Property
ΔfH°gas	-256.71	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	10.89	kJ/mol	Joback Calculated Property
ΔvapH°	35.24	kJ/mol	Relay (1.0) Calculated Property
IE	10.16	eV	Relay (1.0) Calculated Property
log10WS	-0.33		Relay (1.0) Calculated Property
logPoct/wat	0.345		Crippen Calculated Property
McVol	70.360	ml/mol	McGowan Calculated Property
Pc	4200.18	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	356.86	K	Relay (1.0) Calculated Property
Tc	537.30	K	Relay (1.0) Calculated Property
Tfus	178.92	K	Relay (1.0) Calculated Property
Vc	0.256	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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[91.35; 189.16]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			1.26100e+00
Coefficient B			4.12100e-01
Coefficient C			-3.29500e-04
Coefficient D			1.05300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	91.35	J/mol×K	273.00	Calculated Property
Cp,gas	110.48	J/mol×K	353.78	Calculated Property
Cp,gas	126.76	J/mol×K	434.56	Calculated Property
Cp,gas	140.54	J/mol×K	515.33	Calculated Property
Cp,gas	152.14	J/mol×K	596.11	Calculated Property
Cp,gas	161.89	J/mol×K	676.89	Calculated Property
Cp,gas	170.14	J/mol×K	757.67	Calculated Property
Cp,gas	177.21	J/mol×K	838.44	Calculated Property
Cp,gas	183.44	J/mol×K	919.22	Calculated Property
Cp,gas	189.16	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011300; 0.0002853]	Pa×s	[191.78; 364.21]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-9.69261e+00
Coefficient B			5.57510e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			191.78
Temperature range, max.			364.21
η	0.0011300	Pa×s	191.78	Calculated Property
η	0.0008677	Pa×s	210.94	Calculated Property
η	0.0006963	Pa×s	230.10	Calculated Property
η	0.0005780	Pa×s	249.26	Calculated Property
η	0.0004927	Pa×s	268.42	Calculated Property
η	0.0004290	Pa×s	287.58	Calculated Property
η	0.0003801	Pa×s	306.73	Calculated Property
η	0.0003416	Pa×s	325.89	Calculated Property
η	0.0003106	Pa×s	345.05	Calculated Property
η	0.0002853	Pa×s	364.21	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 409.21]	kPa	[266.10; 378.48]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
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

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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