Chemical Properties of Guaia-1(10),11-dien-15,2-olide

InChI

InChI=1S/C15H20O2/c1-8-4-5-11-6-13-10(3)14(7-12(8)13)17-15(16)9(11)2/h9,11-12,14H,1,4-7H2,2-3H3

InChI Key

WNLWOLXUWFZXOF-UHFFFAOYSA-N

Formula

C15H20O2

SMILES

C=C1CCC2CC3=C(C)C(CC13)OC(=O)C2C

Molecular Weight¹

232.32

• 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°	29.54	kJ/mol	Joback Calculated Property
logPoct/wat	3.241		Crippen Calculated Property
McVol	188.470	ml/mol	McGowan Calculated Property
Inp	[2019.00; 2019.00]
Inp	2019.00		NIST
Inp	2019.00		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	[257.31; 681.44]	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			-8.17000e+01
Coefficient B			1.48854e+00
Coefficient C			-9.70800e-04
Coefficient D			2.45400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	257.31	J/mol×K	273.00	Calculated Property
Cp,gas	334.27	J/mol×K	353.78	Calculated Property
Cp,gas	401.97	J/mol×K	434.56	Calculated Property
Cp,gas	461.16	J/mol×K	515.33	Calculated Property
Cp,gas	512.65	J/mol×K	596.11	Calculated Property
Cp,gas	557.18	J/mol×K	676.89	Calculated Property
Cp,gas	595.56	J/mol×K	757.67	Calculated Property
Cp,gas	628.54	J/mol×K	838.44	Calculated Property
Cp,gas	656.91	J/mol×K	919.22	Calculated Property
Cp,gas	681.44	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0021937; 0.0015252]	Pa×s	[383.16; 593.12]	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			-7.14887e+00
Coefficient B			3.93390e+02
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.			383.16
Temperature range, max.			593.12
η	0.0021937	Pa×s	383.16	Calculated Property
η	0.0020682	Pa×s	406.49	Calculated Property
η	0.0019623	Pa×s	429.82	Calculated Property
η	0.0018720	Pa×s	453.15	Calculated Property
η	0.0017941	Pa×s	476.47	Calculated Property
η	0.0017263	Pa×s	499.80	Calculated Property
η	0.0016668	Pa×s	523.13	Calculated Property
η	0.0016141	Pa×s	546.46	Calculated Property
η	0.0015672	Pa×s	569.79	Calculated Property
η	0.0015252	Pa×s	593.12	Calculated Property

Similar Compounds

Find more compounds similar to Guaia-1(10),11-dien-15,2-olide.

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

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