Chemical Properties of Cyperenal

InChI

InChI=1S/C14H20O/c1-13(2)11-4-3-6-14(13)7-5-10(9-15)12(14)8-11/h9,11H,3-8H2,1-2H3/t11-,14-/m0/s1

InChI Key

JMTHIKZIQLFHDG-FZMZJTMJSA-N

Formula

C14H20O

SMILES

CC1(C)C2CCCC13CCC(C=O)=C3C2

Molecular Weight¹

204.31

• 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	0.3652		Relay (1.0) Calculated Property
ΔfG°	125.25	kJ/mol	Joback Calculated Property
ΔfH°gas	-84.85	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	12.36	kJ/mol	Joback Calculated Property
ΔvapH°	71.92	kJ/mol	Relay (1.0) Calculated Property
IE	8.88	eV	Relay (1.0) Calculated Property
log10WS	-3.53		Relay (1.0) Calculated Property
logPoct/wat	3.492		Crippen Calculated Property
McVol	172.810	ml/mol	McGowan Calculated Property
Pc	2624.46	kPa	Joback Calculated Property
Inp	[1706.00; 1706.00]
Inp	1706.00		NIST
Inp	1706.00		NIST
Tboil	560.03	K	Relay (1.0) Calculated Property
Tc	828.97	K	Relay (1.0) Calculated Property
Tfus	433.14	K	Relay (1.0) Calculated Property
Vc	0.592	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[476.08; 577.36]	J/mol×K	[606.74; 839.85]
Cp,gas	476.08	J/mol×K	606.74	Joback Calculated Property
Cp,gas	494.82	J/mol×K	645.59	Joback Calculated Property
Cp,gas	512.38	J/mol×K	684.44	Joback Calculated Property
Cp,gas	529.08	J/mol×K	723.30	Joback Calculated Property
Cp,gas	545.25	J/mol×K	762.15	Joback Calculated Property
Cp,gas	561.24	J/mol×K	801.00	Joback Calculated Property
Cp,gas	577.36	J/mol×K	839.85	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cyperenal.

Sources

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

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