Chemical Properties of phyllocladanol

InChI

InChI=1S/C20H34O/c1-17(2)9-5-10-18(3)15(17)8-11-20-12-14(6-7-16(18)20)19(4,21)13-20/h14-16,21H,5-13H2,1-4H3/t14-,15?,16?,18+,19-,20+/m1/s1

InChI Key

FZSRMADKTOBCNT-WLAIHKBOSA-N

Formula

C20H34O

SMILES

CC1(C)CCC[C@@]2(C)C1CC[C@@]13C[C@@H](CCC12)[C@](C)(O)C3

Molecular Weight¹

290.49

• 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_np : Non-polar retention indices.
• I_p : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	13.80	kJ/mol	Joback Calculated Property
logPoct/wat	5.170		Crippen Calculated Property
McVol	255.090	ml/mol	McGowan Calculated Property
Inp	[2180.00; 2210.00]
Inp	Outlier 2180.00		NIST
Inp	2205.00		NIST
Inp	2210.00		NIST
Inp	2200.00		NIST
Inp	2200.00		NIST
Inp	2210.00		NIST
Inp	2210.00		NIST
Inp	2200.00		NIST
Ip	[2835.00; 2865.00]
Ip	2835.00		NIST
Ip	2865.00		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	[320.00; 1045.18]	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			-4.13600e+02
Coefficient B			3.59118e+00
Coefficient C			-3.75400e-03
Coefficient D			1.62160e-06
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	320.00	J/mol×K	273.00	Calculated Property
Cp,gas	458.84	J/mol×K	353.78	Calculated Property
Cp,gas	571.14	J/mol×K	434.56	Calculated Property
Cp,gas	662.04	J/mol×K	515.33	Calculated Property
Cp,gas	736.66	J/mol×K	596.11	Calculated Property
Cp,gas	800.14	J/mol×K	676.89	Calculated Property
Cp,gas	857.61	J/mol×K	757.67	Calculated Property
Cp,gas	914.18	J/mol×K	838.44	Calculated Property
Cp,gas	975.00	J/mol×K	919.22	Calculated Property
Cp,gas	1045.18	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to phyllocladanol.

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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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