Chemical Properties of 6-Heptenoic acid, ethyl ester (CAS 25118-23-4)

InChI

InChI=1S/C9H16O2/c1-3-5-6-7-8-9(10)11-4-2/h3H,1,4-8H2,2H3

InChI Key

FTJATNSAFIFEDU-UHFFFAOYSA-N

Formula

C9H16O2

SMILES

C=CCCCCC(=O)OCC

Molecular Weight¹

156.22

CAS

25118-23-4

Other Names

• Ethyl 6-heptenoate

• 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 : 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	0.5056		Relay (1.0) Calculated Property
ΔfG°	-197.63	kJ/mol	Joback Calculated Property
ΔfH°gas	-443.47	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	22.15	kJ/mol	Joback Calculated Property
ΔvapH°	55.42	kJ/mol	Relay (1.0) Calculated Property
IE	9.44	eV	Relay (1.0) Calculated Property
log10WS	-2.32		Relay (1.0) Calculated Property
logPoct/wat	2.296		Crippen Calculated Property
McVol	140.810	ml/mol	McGowan Calculated Property
Pc	2414.74	kPa	Joback Calculated Property
I	[1609.00; 1609.00]
I	1609.00		NIST
I	1609.00		NIST
Tboil	452.40	K	Relay (1.0) Calculated Property
Tc	642.89	K	Relay (1.0) Calculated Property
Tfus	213.93	K	Relay (1.0) Calculated Property
Vc	0.522	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[300.04; 370.22]	J/mol×K	[460.42; 634.32]
Cp,gas	300.04	J/mol×K	460.42	Joback Calculated Property
Cp,gas	313.02	J/mol×K	489.40	Joback Calculated Property
Cp,gas	325.48	J/mol×K	518.39	Joback Calculated Property
Cp,gas	337.41	J/mol×K	547.37	Joback Calculated Property
Cp,gas	348.84	J/mol×K	576.36	Joback Calculated Property
Cp,gas	359.78	J/mol×K	605.34	Joback Calculated Property
Cp,gas	370.22	J/mol×K	634.32	Joback Calculated Property
η	[0.0002267; 0.0054330]	Pa×s	[231.76; 460.42]
η	0.0054330	Pa×s	231.76	Joback Calculated Property
η	0.0022017	Pa×s	269.87	Joback Calculated Property
η	0.0011157	Pa×s	307.98	Joback Calculated Property
η	0.0006567	Pa×s	346.09	Joback Calculated Property
η	0.0004294	Pa×s	384.20	Joback Calculated Property
η	0.0003031	Pa×s	422.31	Joback Calculated Property
η	0.0002267	Pa×s	460.42	Joback Calculated Property

Similar Compounds

Find more compounds similar to 6-Heptenoic acid, ethyl ester.

Sources

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

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