Chemical Properties of Nordimedrol acetylated

InChI

InChI=1S/C18H21NO2/c1-15(20)19(2)13-14-21-18(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,18H,13-14H2,1-2H3

InChI Key

RRLHRDNTUZHNAO-UHFFFAOYSA-N

Formula

C18H21NO2

SMILES

CC(=O)N(C)CCOC(c1ccccc1)c1ccccc1

Molecular Weight¹

283.37

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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°	32.74	kJ/mol	Joback Calculated Property
log10WS	-1.92		Relay (1.0) Calculated Property
logPoct/wat	3.271		Crippen Calculated Property
McVol	234.380	ml/mol	McGowan Calculated Property
Inp	[2343.00; 2344.00]
Inp	2343.00		NIST
Inp	2344.00		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 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	[304.34; 757.00]	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			-6.07980e+01
Coefficient B			1.59464e+00
Coefficient C			-1.00390e-03
Coefficient D			2.27060e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	304.34	J/mol×K	273.00	Calculated Property
Cp,gas	387.76	J/mol×K	353.78	Calculated Property
Cp,gas	461.22	J/mol×K	434.56	Calculated Property
Cp,gas	525.44	J/mol×K	515.33	Calculated Property
Cp,gas	581.15	J/mol×K	596.11	Calculated Property
Cp,gas	629.05	J/mol×K	676.89	Calculated Property
Cp,gas	669.87	J/mol×K	757.67	Calculated Property
Cp,gas	704.32	J/mol×K	838.44	Calculated Property
Cp,gas	733.13	J/mol×K	919.22	Calculated Property
Cp,gas	757.00	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Nordimedrol acetylated.

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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