Chemical Properties of cis-3-Hexenoic acid (CAS 1775-43-5)

InChI

InChI=1S/C6H10O2/c1-2-3-4-5-6(7)8/h3-4H,2,5H2,1H3,(H,7,8)/b4-3-

InChI Key

XXHDAWYDNSXJQM-ARJAWSKDSA-N

Formula

C6H10O2

SMILES

CCC=CCC(=O)O

Molecular Weight¹

114.14

CAS

1775-43-5

Other Names

• (Z)-3-hexenoic acid
• (Z)-hex-2-enoic acid

• 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).
• 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.
• 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	0.5967		Relay (1.0) Calculated Property
ΔfG°	-264.05	kJ/mol	Joback Calculated Property
ΔfH°gas	-438.16	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.64	kJ/mol	Joback Calculated Property
ΔvapH°	65.76	kJ/mol	Relay (1.0) Calculated Property
IE	9.49	eV	Relay (1.0) Calculated Property
logPoct/wat	1.427		Crippen Calculated Property
McVol	98.540	ml/mol	McGowan Calculated Property
Pc	3659.77	kPa	Joback Calculated Property
Inp	1101.00		NIST
I	[1922.00; 1945.00]
I	1945.00		NIST
I	1922.00		NIST
Tboil	469.81	K	Relay (1.0) Calculated Property
Tc	660.53	K	Relay (1.0) Calculated Property
Tfus	251.66	K	Relay (1.0) Calculated Property
Vc	0.353	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Log10 of Water solubility in mol/l 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[208.45; 257.54]	J/mol×K	[486.55; 684.58]
Cp,gas	208.45	J/mol×K	486.55	Joback Calculated Property
Cp,gas	217.88	J/mol×K	519.56	Joback Calculated Property
Cp,gas	226.78	J/mol×K	552.56	Joback Calculated Property
Cp,gas	235.16	J/mol×K	585.57	Joback Calculated Property
Cp,gas	243.06	J/mol×K	618.57	Joback Calculated Property
Cp,gas	250.51	J/mol×K	651.58	Joback Calculated Property
Cp,gas	257.54	J/mol×K	684.58	Joback Calculated Property
η	[0.0002454; 0.0015581]	Pa×s	[312.90; 486.55]
η	0.0015581	Pa×s	312.90	Joback Calculated Property
η	0.0010050	Pa×s	341.84	Joback Calculated Property
η	0.0006941	Pa×s	370.78	Joback Calculated Property
η	0.0005058	Pa×s	399.73	Joback Calculated Property
η	0.0003847	Pa×s	428.67	Joback Calculated Property
η	0.0003029	Pa×s	457.61	Joback Calculated Property
η	0.0002454	Pa×s	486.55	Joback Calculated Property

Similar Compounds

Find more compounds similar to cis-3-Hexenoic acid.

Sources

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

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