Chemical Properties of Nordavanone (CAS 54933-91-4)

InChI

InChI=1S/C11H18O2/c1-5-11(4)7-6-10(13-11)8(2)9(3)12/h5,8,10H,1,6-7H2,2-4H3

InChI Key

RNEVZQGFNUZDJC-UHFFFAOYSA-N

Formula

C11H18O2

SMILES

C=CC1(C)CCC(C(C)C(C)=O)O1

Molecular Weight¹

182.26

CAS

54933-91-4

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-64.55	kJ/mol	Joback Calculated Property
ΔfH°gas	-339.42	kJ/mol	Joback Calculated Property
ΔfusH°	17.73	kJ/mol	Joback Calculated Property
ΔvapH°	49.08	kJ/mol	Joback Calculated Property
log10WS	-2.52		Crippen Calculated Property
logPoct/wat	2.335		Crippen Calculated Property
McVol	158.130	ml/mol	McGowan Calculated Property
Pc	2555.92	kPa	Joback Calculated Property
Inp	[1207.00; 1235.00]
Inp	1214.00		NIST
Inp	1231.00		NIST
Inp	1227.00		NIST
Inp	1231.00		NIST
Inp	1232.30		NIST
Inp	1235.00		NIST
Inp	1227.00		NIST
Inp	1213.00		NIST
Inp	Outlier 1207.00		NIST
Inp	1225.00		NIST
Inp	1229.00		NIST
Inp	1235.00		NIST
Inp	1231.00		NIST
Inp	1232.30		NIST
Tboil	538.99	K	Joback Calculated Property
Tc	751.38	K	Joback Calculated Property
Tfus	304.03	K	Joback Calculated Property
Vc	0.592	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[389.77; 480.50]	J/mol×K	[538.99; 751.38]
Cp,gas	389.77	J/mol×K	538.99	Joback Calculated Property
Cp,gas	407.24	J/mol×K	574.39	Joback Calculated Property
Cp,gas	423.61	J/mol×K	609.79	Joback Calculated Property
Cp,gas	439.01	J/mol×K	645.19	Joback Calculated Property
Cp,gas	453.55	J/mol×K	680.59	Joback Calculated Property
Cp,gas	467.34	J/mol×K	715.99	Joback Calculated Property
Cp,gas	480.50	J/mol×K	751.38	Joback Calculated Property

Similar Compounds

Find more compounds similar to Nordavanone.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.