Chemical Properties of 4-hydroxy-(Z)-non-6-enoic acid, lactone

InChI

InChI=1S/C9H14O2/c1-2-3-4-5-8-6-7-9(10)11-8/h3-4,8H,2,5-7H2,1H3/b4-3-

InChI Key

FPWNJNJVLBJJSN-ARJAWSKDSA-N

Formula

C9H14O2

SMILES

CCC=CCC1CCC(=O)O1

Molecular Weight¹

154.21

• 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).
• 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.
• 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
ΔfG°	-67.04	kJ/mol	Joback Calculated Property
ΔfH°gas	-321.09	kJ/mol	Joback Calculated Property
ΔfusH°	20.69	kJ/mol	Joback Calculated Property
ΔvapH°	44.60	kJ/mol	Joback Calculated Property
log10WS	-2.31		Crippen Calculated Property
logPoct/wat	2.048		Crippen Calculated Property
McVol	129.950	ml/mol	McGowan Calculated Property
Pc	3005.73	kPa	Joback Calculated Property
Inp	1323.00		NIST
I	[2102.00; 2102.00]
I	2102.00		NIST
I	2102.00		NIST
Tboil	519.53	K	Joback Calculated Property
Tc	736.94	K	Joback Calculated Property
Tfus	291.80	K	Joback Calculated Property
Vc	0.488	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[305.24; 389.09]	J/mol×K	[519.53; 736.94]
Cp,gas	305.24	J/mol×K	519.53	Joback Calculated Property
Cp,gas	321.24	J/mol×K	555.76	Joback Calculated Property
Cp,gas	336.41	J/mol×K	592.00	Joback Calculated Property
Cp,gas	350.76	J/mol×K	628.23	Joback Calculated Property
Cp,gas	364.31	J/mol×K	664.47	Joback Calculated Property
Cp,gas	377.09	J/mol×K	700.70	Joback Calculated Property
Cp,gas	389.09	J/mol×K	736.94	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-hydroxy-(Z)-non-6-enoic acid, lactone.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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