Chemical Properties of 13-ethoxy-8 «alpha»,13-epoxy-14,15,16-trinorlabdane

InChI

InChI=1S/C18H32O2/c1-5-19-16-10-7-13-14(20-16)8-9-15-17(2,3)11-6-12-18(13,15)4/h13-16H,5-12H2,1-4H3/t13?,14-,15?,16?,18-/m0/s1

InChI Key

PHUXMFIYWAEFPU-KVODCKKVSA-N

Formula

C18H32O2

SMILES

CCOC1CCC2C(CCC3C(C)(C)CCCC23C)O1

Molecular Weight¹

280.45

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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_p : 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
ΔfusH°	26.06	kJ/mol	Joback Calculated Property
logPoct/wat	4.771		Crippen Calculated Property
McVol	243.640	ml/mol	McGowan Calculated Property
Ip	[2464.00; 2556.00]
Ip	2464.00		NIST
Ip	2556.00		NIST
Ip	2464.00		NIST
Tboil	602.71	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[324.25; 968.73]	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			-2.29149e+02
Coefficient B			2.55668e+00
Coefficient C			-2.15810e-03
Coefficient D			7.99300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	324.25	J/mol×K	273.00	Calculated Property
Cp,gas	440.63	J/mol×K	353.78	Calculated Property
Cp,gas	539.93	J/mol×K	434.56	Calculated Property
Cp,gas	624.66	J/mol×K	515.33	Calculated Property
Cp,gas	697.35	J/mol×K	596.11	Calculated Property
Cp,gas	760.54	J/mol×K	676.89	Calculated Property
Cp,gas	816.74	J/mol×K	757.67	Calculated Property
Cp,gas	868.49	J/mol×K	838.44	Calculated Property
Cp,gas	918.31	J/mol×K	919.22	Calculated Property
Cp,gas	968.73	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 13-ethoxy-8 «alpha»,13-epoxy-14,15,16-trinorlabdane.

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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