Chemical Properties of Ethyl trans-2-methyl-2-butenoate (CAS 5837-78-5)

InChI

InChI=1S/C7H12O2/c1-4-6(3)7(8)9-5-2/h4H,5H2,1-3H3/b6-4+

InChI Key

OAPHLAAOJMTMLY-GQCTYLIASA-N

Formula

C7H12O2

SMILES

CC=C(C)C(=O)OCC

Molecular Weight¹

128.17

CAS

5837-78-5

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• P_vap : Vapor pressure (kPa).
• 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	0.4002		Relay (... Calculated Property
ΔfG°	-154.19	kJ/mol	Joback Calculated Property
ΔfH°gas	-412.19	kJ/mol	Relay (... Calculated Property
ΔfusH°	15.56	kJ/mol	Joback Calculated Property
ΔvapH°	46.78	kJ/mol	Relay (... Calculated Property
IE	9.13	eV	Relay (... Calculated Property
log10WS	-1.78		Relay (... Calculated Property
logPoct/wat	1.516		Crippen Calculated Property
McVol	112.630	ml/mol	McGowan Calculated Property
Pc	3131.49	kPa	Joback Calculated Property
I	[1239.00; 1239.00]
I	1239.00		NIST
I	1239.00		NIST
Tboil	421.23	K	Relay (... Calculated Property
Tc	602.18	K	Relay (... Calculated Property
Tfus	215.28	K	Relay (... Calculated Property
Vc	0.413	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[222.62; 281.54]	J/mol×K	[439.89; 628.49]
Cp,gas	222.62	J/mol×K	439.89	Joback Calculated Property
Cp,gas	233.55	J/mol×K	471.32	Joback Calculated Property
Cp,gas	244.02	J/mol×K	502.76	Joback Calculated Property
Cp,gas	254.05	J/mol×K	534.19	Joback Calculated Property
Cp,gas	263.64	J/mol×K	565.63	Joback Calculated Property
Cp,gas	272.80	J/mol×K	597.06	Joback Calculated Property
Cp,gas	281.54	J/mol×K	628.49	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[324.02; 443.24]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.64182e+01
Coefficient B			-4.25147e+03
Coefficient C			-6.04540e+01
Temperature range, min.			324.02
Temperature range, max.			443.24
Pvap	1.33	kPa	324.02	Calculated Property
Pvap	2.88	kPa	337.27	Calculated Property
Pvap	5.82	kPa	350.51	Calculated Property
Pvap	11.03	kPa	363.76	Calculated Property
Pvap	19.84	kPa	377.01	Calculated Property
Pvap	34.02	kPa	390.25	Calculated Property
Pvap	55.97	kPa	403.50	Calculated Property
Pvap	88.73	kPa	416.75	Calculated Property
Pvap	136.10	kPa	429.99	Calculated Property
Pvap	202.65	kPa	443.24	Calculated Property

Similar Compounds

Find more compounds similar to Ethyl trans-2-methyl-2-butenoate.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.