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).
• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-414.33	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.77	kJ/mol	Joback Calculated Property
ΔvapH°	68.74	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	2.048		Crippen Calculated Property
McVol	129.950	ml/mol	McGowan Calculated Property
Inp	1323.00		NIST
I	[2102.00; 2102.00]
I	2102.00		NIST
I	2102.00		NIST
Tboil	547.08	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[175.30; 440.91]	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			-4.43080e+01
Coefficient B			9.74920e-01
Coefficient C			-6.75200e-04
Coefficient D			1.85500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	175.30	J/mol×K	273.00	Calculated Property
Cp,gas	224.30	J/mol×K	353.78	Calculated Property
Cp,gas	267.07	J/mol×K	434.56	Calculated Property
Cp,gas	304.18	J/mol×K	515.33	Calculated Property
Cp,gas	336.22	J/mol×K	596.11	Calculated Property
Cp,gas	363.77	J/mol×K	676.89	Calculated Property
Cp,gas	387.43	J/mol×K	757.67	Calculated Property
Cp,gas	407.79	J/mol×K	838.44	Calculated Property
Cp,gas	425.42	J/mol×K	919.22	Calculated Property
Cp,gas	440.91	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0025176; 0.0003645]	Pa×s	[246.38; 466.96]	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			-1.00757e+01
Coefficient B			1.00800e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			246.38
Temperature range, max.			466.96
η	0.0025176	Pa×s	246.38	Calculated Property
η	0.0017387	Pa×s	270.89	Calculated Property
η	0.0012769	Pa×s	295.40	Calculated Property
η	0.0009831	Pa×s	319.91	Calculated Property
η	0.0007856	Pa×s	344.42	Calculated Property
η	0.0006468	Pa×s	368.93	Calculated Property
η	0.0005456	Pa×s	393.44	Calculated Property
η	0.0004695	Pa×s	417.95	Calculated Property
η	0.0004108	Pa×s	442.46	Calculated Property
η	0.0003645	Pa×s	466.96	Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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.
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