Chemical Properties of (E)-Opposita-4(15),7(11)-dien-12-al

InChI

InChI=1S/C15H22O/c1-11(10-16)9-13-6-8-15(3)7-4-5-12(2)14(13)15/h9-10,13-14H,2,4-8H2,1,3H3/b11-9+/t13-,14?,15-/m1/s1

InChI Key

DNBAZHCMMBVLFT-BJRRHPIXSA-N

Formula

C15H22O

SMILES

C=C1CCCC2(C)CCC(C=C(C)C=O)C12

Molecular Weight¹

218.33

• 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	0.3690		Relay (1.0) Calculated Property
ΔfG°	172.65	kJ/mol	Joback Calculated Property
ΔfH°gas	-162.04	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	19.37	kJ/mol	Joback Calculated Property
ΔvapH°	72.04	kJ/mol	Relay (1.0) Calculated Property
IE	9.16	eV	Relay (1.0) Calculated Property
log10WS	-4.13		Relay (1.0) Calculated Property
logPoct/wat	3.904		Crippen Calculated Property
McVol	193.460	ml/mol	McGowan Calculated Property
Pc	2141.36	kPa	Joback Calculated Property
Inp	[1679.00; 1707.00]
Inp	1707.00		NIST
Inp	1679.00		NIST
Inp	1680.00		NIST
Inp	1707.00		NIST
I	2265.00		NIST
Tboil	562.66	K	Relay (1.0) Calculated Property
Tc	802.26	K	Relay (1.0) Calculated Property
Tfus	275.06	K	Relay (1.0) Calculated Property
Vc	0.637	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[526.25; 633.52]	J/mol×K	[616.32; 839.57]
Cp,gas	526.25	J/mol×K	616.32	Joback Calculated Property
Cp,gas	546.67	J/mol×K	653.53	Joback Calculated Property
Cp,gas	565.84	J/mol×K	690.74	Joback Calculated Property
Cp,gas	583.94	J/mol×K	727.94	Joback Calculated Property
Cp,gas	601.14	J/mol×K	765.15	Joback Calculated Property
Cp,gas	617.60	J/mol×K	802.36	Joback Calculated Property
Cp,gas	633.52	J/mol×K	839.57	Joback Calculated Property

Similar Compounds

Find more compounds similar to (E)-Opposita-4(15),7(11)-dien-12-al.

Sources

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

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