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

InChI

InChI=1S/C16H24O3/c1-11-4-5-12-14(2,13(18)19-3)15(10-17)6-8-16(11,12)9-7-15/h6,8,11-12,17H,4-5,7,9-10H2,1-3H3

InChI Key

JYLSKFICMHIFPA-UHFFFAOYSA-N

Formula

C16H24O3

SMILES

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

Molecular Weight¹

264.36

• 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_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
ΔfG°	-130.78	kJ/mol	Joback Calculated Property
ΔfH°gas	-501.70	kJ/mol	Joback Calculated Property
ΔfusH°	18.75	kJ/mol	Joback Calculated Property
ΔvapH°	73.35	kJ/mol	Joback Calculated Property
log10WS	-2.98		Crippen Calculated Property
logPoct/wat	2.540		Crippen Calculated Property
McVol	212.730	ml/mol	McGowan Calculated Property
Pc	2331.52	kPa	Joback Calculated Property
Inp	[1905.00; 1905.00]
Inp	1905.00		NIST
Inp	1905.00		NIST
Tboil	753.25	K	Joback Calculated Property
Tc	969.18	K	Joback Calculated Property
Tfus	513.82	K	Joback Calculated Property
Vc	0.807	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[676.39; 796.82]	J/mol×K	[753.25; 969.18]
Cp,gas	676.39	J/mol×K	753.25	Joback Calculated Property
Cp,gas	694.93	J/mol×K	789.24	Joback Calculated Property
Cp,gas	713.63	J/mol×K	825.23	Joback Calculated Property
Cp,gas	732.83	J/mol×K	861.21	Joback Calculated Property
Cp,gas	752.87	J/mol×K	897.20	Joback Calculated Property
Cp,gas	774.09	J/mol×K	933.19	Joback Calculated Property
Cp,gas	796.82	J/mol×K	969.18	Joback Calculated Property

Similar Compounds

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

Sources

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

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