Chemical Properties of trans-Dihydrojasmone

InChI

InChI=1S/C11H18O/c1-3-4-5-6-10-9(2)7-8-11(10)12/h4-5,9-10H,3,6-8H2,1-2H3/b5-4-/t9-,10+/m0/s1

InChI Key

QQLJHNUFLMPPGC-YVDHIRPGSA-N

Formula

C11H18O

SMILES

CCC=CCC1C(=O)CCC1C

Molecular Weight¹

166.26

• 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.
• 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
ω	0.3719		Relay (1.0) Calculated Property
ΔfG°	28.21	kJ/mol	Joback Calculated Property
ΔfH°gas	-256.90	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.96	kJ/mol	Joback Calculated Property
ΔvapH°	61.41	kJ/mol	Relay (1.0) Calculated Property
IE	8.86	eV	Relay (1.0) Calculated Property
log10WS	-2.89		Relay (1.0) Calculated Property
logPoct/wat	2.958		Crippen Calculated Property
McVol	152.260	ml/mol	McGowan Calculated Property
Pc	2402.92	kPa	Joback Calculated Property
Inp	[1400.00; 1400.00]
Inp	1400.00		NIST
Inp	1400.00		NIST
I	[1892.00; 1892.00]
I	1892.00		NIST
I	1892.00		NIST
Tboil	493.32	K	Relay (1.0) Calculated Property
Tc	704.44	K	Relay (1.0) Calculated Property
Tfus	252.34	K	Relay (1.0) Calculated Property
Vc	0.512	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[368.74; 467.19]	J/mol×K	[533.67; 745.61]
Cp,gas	368.74	J/mol×K	533.67	Joback Calculated Property
Cp,gas	387.43	J/mol×K	568.99	Joback Calculated Property
Cp,gas	405.18	J/mol×K	604.32	Joback Calculated Property
Cp,gas	422.01	J/mol×K	639.64	Joback Calculated Property
Cp,gas	437.95	J/mol×K	674.97	Joback Calculated Property
Cp,gas	453.00	J/mol×K	710.29	Joback Calculated Property
Cp,gas	467.19	J/mol×K	745.61	Joback Calculated Property

Similar Compounds

Find more compounds similar to trans-Dihydrojasmone.

Sources

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

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