Chemical Properties of Methyl syn-3-Formyl-helifolen-12-oate

InChI

InChI=1S/C16H22O3/c1-11-4-5-12-14(2,13(18)19-3)15(10-17)6-8-16(11,12)9-7-15/h6,8,10-12H,4-5,7,9H2,1-3H3

InChI Key

RCPDICCZCVVSPJ-UHFFFAOYSA-N

Formula

C16H22O3

SMILES

COC(=O)C1(C)C2CCC(C)C23C=CC1(C=O)CC3

Molecular Weight¹

262.34

• 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	0.4260		Relay (... Calculated Property
ΔfG°	-93.48	kJ/mol	Joback Calculated Property
ΔfH°gas	-415.99	kJ/mol	Relay (... Calculated Property
ΔfusH°	16.95	kJ/mol	Joback Calculated Property
ΔvapH°	81.39	kJ/mol	Relay (... Calculated Property
IE	8.52	eV	Relay (... Calculated Property
log10WS	-3.89		Relay (... Calculated Property
logPoct/wat	2.747		Crippen Calculated Property
McVol	208.430	ml/mol	McGowan Calculated Property
Pc	2291.52	kPa	Joback Calculated Property
Inp	[1793.00; 1793.00]
Inp	1793.00		NIST
Inp	1793.00		NIST
Tboil	560.69	K	Relay (... Calculated Property
Tc	852.10	K	Relay (... Calculated Property
Tfus	412.51	K	Relay (... Calculated Property
Vc	0.705	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[632.18; 753.70]	J/mol×K	[709.73; 943.49]
Cp,gas	632.18	J/mol×K	709.73	Joback Calculated Property
Cp,gas	651.57	J/mol×K	748.69	Joback Calculated Property
Cp,gas	670.74	J/mol×K	787.65	Joback Calculated Property
Cp,gas	690.11	J/mol×K	826.61	Joback Calculated Property
Cp,gas	710.12	J/mol×K	865.57	Joback Calculated Property
Cp,gas	731.17	J/mol×K	904.53	Joback Calculated Property
Cp,gas	753.70	J/mol×K	943.49	Joback Calculated Property

Similar Compounds

Find more compounds similar to Methyl syn-3-Formyl-helifolen-12-oate.

Sources

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

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