Chemical Properties of Dihydrodehydrocostus lactone (CAS 4955-03-7)

InChI

InChI=1S/C15H20O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h10-14H,1-2,4-7H2,3H3

InChI Key

UJADCNYXDHHISU-UHFFFAOYSA-N

Formula

C15H20O2

SMILES

C=C1CCC2C(C)C(=O)OC2C2C(=C)CCC12

Molecular Weight¹

232.32

CAS

4955-03-7

• 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°	29.00	kJ/mol	Joback Calculated Property
logPoct/wat	3.096		Crippen Calculated Property
McVol	188.470	ml/mol	McGowan Calculated Property
Inp	[1953.90; 1953.90]
Inp	1953.90		NIST
Inp	1953.90		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	[257.46; 693.57]	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			-8.98500e+01
Coefficient B			1.51952e+00
Coefficient C			-9.69800e-04
Coefficient D			2.33700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	257.46	J/mol×K	273.00	Calculated Property
Cp,gas	336.69	J/mol×K	353.78	Calculated Property
Cp,gas	406.51	J/mol×K	434.56	Calculated Property
Cp,gas	467.64	J/mol×K	515.33	Calculated Property
Cp,gas	520.84	J/mol×K	596.11	Calculated Property
Cp,gas	566.83	J/mol×K	676.89	Calculated Property
Cp,gas	606.36	J/mol×K	757.67	Calculated Property
Cp,gas	640.17	J/mol×K	838.44	Calculated Property
Cp,gas	668.99	J/mol×K	919.22	Calculated Property
Cp,gas	693.57	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0022258; 0.0018355]	Pa×s	[366.80; 581.44]	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			-6.62987e+00
Coefficient B			1.91560e+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.			366.80
Temperature range, max.			581.44
η	0.0022258	Pa×s	366.80	Calculated Property
η	0.0021560	Pa×s	390.65	Calculated Property
η	0.0020960	Pa×s	414.50	Calculated Property
η	0.0020440	Pa×s	438.35	Calculated Property
η	0.0019984	Pa×s	462.20	Calculated Property
η	0.0019582	Pa×s	486.04	Calculated Property
η	0.0019224	Pa×s	509.89	Calculated Property
η	0.0018904	Pa×s	533.74	Calculated Property
η	0.0018616	Pa×s	557.59	Calculated Property
η	0.0018355	Pa×s	581.44	Calculated Property

Similar Compounds

Find more compounds similar to Dihydrodehydrocostus 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.
These property values are available through the Cheméo API. A free account gives you an access key.