Chemical Properties of Ethanol, 2-allyloxy, acetate

InChI

InChI=1S/C7H12O3/c1-3-4-9-5-6-10-7(2)8/h3H,1,4-6H2,2H3

InChI Key

UPPPRUXHPDMSCT-UHFFFAOYSA-N

Formula

C7H12O3

SMILES

C=CCOCCOC(C)=O

Molecular Weight¹

144.17

• 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.
• 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	0.4781		Relay (1.0) Calculated Property
ΔfH°gas	-524.49	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.16	kJ/mol	Joback Calculated Property
ΔvapH°	56.85	kJ/mol	Relay (1.0) Calculated Property
IE	9.45	eV	Relay (1.0) Calculated Property
log10WS	-0.34		Relay (1.0) Calculated Property
logPoct/wat	0.752		Crippen Calculated Property
McVol	118.500	ml/mol	McGowan Calculated Property
Pc	2890.51	kPa	Joback Calculated Property
Inp	[977.00; 985.00]
Inp	977.00		NIST
Inp	982.00		NIST
Inp	985.00		NIST
Inp	982.00		NIST
Inp	979.00		NIST
Inp	984.00		NIST
Inp	979.00		NIST
Inp	982.00		NIST
Inp	983.00		NIST
Inp	981.00		NIST
Inp	980.00		NIST
Inp	981.00		NIST
Inp	977.00		NIST
Inp	984.00		NIST
Inp	980.00		NIST
Tboil	454.53	K	Relay (1.0) Calculated Property
Tc	629.66	K	Relay (1.0) Calculated Property
Tfus	210.51	K	Relay (1.0) Calculated Property
Vc	0.431	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	[175.91; 378.56]	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			4.44430e+01
Coefficient B			5.30820e-01
Coefficient C			-1.74300e-04
Coefficient D			-2.24000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	175.91	J/mol×K	273.00	Calculated Property
Cp,gas	209.43	J/mol×K	353.78	Calculated Property
Cp,gas	240.36	J/mol×K	434.56	Calculated Property
Cp,gas	268.64	J/mol×K	515.33	Calculated Property
Cp,gas	294.19	J/mol×K	596.11	Calculated Property
Cp,gas	316.94	J/mol×K	676.89	Calculated Property
Cp,gas	336.83	J/mol×K	757.67	Calculated Property
Cp,gas	353.77	J/mol×K	838.44	Calculated Property
Cp,gas	367.71	J/mol×K	919.22	Calculated Property
Cp,gas	378.56	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0038444; 0.0002292]	Pa×s	[231.45; 429.27]	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			-1.16800e+01
Coefficient B			1.41621e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			231.45
Temperature range, max.			429.27
η	0.0038444	Pa×s	231.45	Calculated Property
η	0.0022613	Pa×s	253.43	Calculated Property
η	0.0014476	Pa×s	275.41	Calculated Property
η	0.0009899	Pa×s	297.39	Calculated Property
η	0.0007133	Pa×s	319.37	Calculated Property
η	0.0005361	Pa×s	341.35	Calculated Property
η	0.0004171	Pa×s	363.33	Calculated Property
η	0.0003340	Pa×s	385.31	Calculated Property
η	0.0002739	Pa×s	407.29	Calculated Property
η	0.0002292	Pa×s	429.27	Calculated Property

Similar Compounds

Find more compounds similar to Ethanol, 2-allyloxy, acetate.

Sources

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

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