Chemical Properties of dihydromethylionone

InChI

InChI=1S/C14H24O/c1-10-7-6-8-14(4,5)13(10)9-11(2)12(3)15/h7,11,13H,6,8-9H2,1-5H3

InChI Key

SYLQLBRNBHRVCR-UHFFFAOYSA-N

Formula

C14H24O

SMILES

CC(=O)C(C)CC1C(C)=CCCC1(C)C

Molecular Weight¹

208.34

• 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 : 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°	-32.78	kJ/mol	Joback Calculated Property
ΔfH°gas	-354.62	kJ/mol	Joback Calculated Property
ΔfusH°	17.53	kJ/mol	Joback Calculated Property
ΔvapH°	53.04	kJ/mol	Joback Calculated Property
log10WS	-3.99		Crippen Calculated Property
logPoct/wat	3.984		Crippen Calculated Property
McVol	194.530	ml/mol	McGowan Calculated Property
Pc	1970.05	kPa	Joback Calculated Property
I	[1967.00; 1967.00]
I	1967.00		NIST
I	1967.00		NIST
Tboil	592.41	K	Joback Calculated Property
Tc	802.16	K	Joback Calculated Property
Tfus	322.79	K	Joback Calculated Property
Vc	0.736	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[509.23; 614.91]	J/mol×K	[592.41; 802.16]
Cp,gas	509.23	J/mol×K	592.41	Joback Calculated Property
Cp,gas	529.18	J/mol×K	627.37	Joback Calculated Property
Cp,gas	548.06	J/mol×K	662.33	Joback Calculated Property
Cp,gas	565.97	J/mol×K	697.29	Joback Calculated Property
Cp,gas	583.01	J/mol×K	732.24	Joback Calculated Property
Cp,gas	599.29	J/mol×K	767.20	Joback Calculated Property
Cp,gas	614.91	J/mol×K	802.16	Joback Calculated Property

Similar Compounds

Find more compounds similar to dihydromethylionone.

Sources

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

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