Chemical Properties of 2-Hydroxyguaia-1(10),11-dien-15-oic acid

InChI

InChI=1S/C15H22O3/c1-8-4-5-11(9(2)15(17)18)6-13-10(3)14(16)7-12(8)13/h9,11-12,14,16H,1,4-7H2,2-3H3,(H,17,18)

InChI Key

PZNIESIYYVZFNH-UHFFFAOYSA-N

Formula

C15H22O3

SMILES

C=C1CCC(C(C)C(=O)O)CC2=C(C)C(O)CC12

Molecular Weight¹

250.34

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	33.54	kJ/mol	Joback Calculated Property
logPoct/wat	2.761		Crippen Calculated Property
McVol	205.200	ml/mol	McGowan Calculated Property
Inp	[1932.00; 1932.00]
Inp	1932.00		NIST
Inp	1932.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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	[280.44; 727.14]	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			-5.89000e+01
Coefficient B			1.46394e+00
Coefficient C			-8.58600e-04
Coefficient D			1.80700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	280.44	J/mol×K	273.00	Calculated Property
Cp,gas	359.55	J/mol×K	353.78	Calculated Property
Cp,gas	429.95	J/mol×K	434.56	Calculated Property
Cp,gas	492.23	J/mol×K	515.33	Calculated Property
Cp,gas	546.95	J/mol×K	596.11	Calculated Property
Cp,gas	594.67	J/mol×K	676.89	Calculated Property
Cp,gas	635.99	J/mol×K	757.67	Calculated Property
Cp,gas	671.45	J/mol×K	838.44	Calculated Property
Cp,gas	701.65	J/mol×K	919.22	Calculated Property
Cp,gas	727.14	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007785; 0.0001265]	Pa×s	[522.27; 718.62]	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			-1.38072e+01
Coefficient B			3.47260e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			522.27
Temperature range, max.			718.62
η	0.0007785	Pa×s	522.27	Calculated Property
η	0.0005963	Pa×s	544.09	Calculated Property
η	0.0004662	Pa×s	565.90	Calculated Property
η	0.0003713	Pa×s	587.72	Calculated Property
η	0.0003005	Pa×s	609.54	Calculated Property
η	0.0002468	Pa×s	631.35	Calculated Property
η	0.0002054	Pa×s	653.17	Calculated Property
η	0.0001730	Pa×s	674.99	Calculated Property
η	0.0001472	Pa×s	696.80	Calculated Property
η	0.0001265	Pa×s	718.62	Calculated Property

Similar Compounds

Find more compounds similar to 2-Hydroxyguaia-1(10),11-dien-15-oic acid.

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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