Chemical Properties of Norodovanone

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/t8-,10+,11+/m0/s1

InChI Key

RNEVZQGFNUZDJC-JMJZKYOTSA-N

Formula

C11H18O2

SMILES

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

Molecular Weight¹

182.26

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.3848		Relay (1.0) Calculated Property
ΔfG°	-64.55	kJ/mol	Joback Calculated Property
ΔfH°gas	-363.67	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.73	kJ/mol	Joback Calculated Property
ΔvapH°	59.04	kJ/mol	Relay (1.0) Calculated Property
IE	8.77	eV	Relay (1.0) Calculated Property
log10WS	-0.81		Relay (1.0) 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	[1229.00; 1229.00]
Inp	1229.00		NIST
Inp	1229.00		NIST
Tboil	488.12	K	Relay (1.0) Calculated Property
Tc	691.41	K	Relay (1.0) Calculated Property
Tfus	267.08	K	Relay (1.0) Calculated Property
Vc	0.560	m3/kmol	Relay (1.0) 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 Norodovanone.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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