Chemical Properties of Me-dihydrophaseic acid-Ac

InChI

InChI=1S/C17H24O6/c1-11(7-14(19)20)5-6-17(21)15(3)8-13(23-12(2)18)9-16(17,4)22-10-15/h5-7,13,21H,8-10H2,1-4H3,(H,19,20)/b6-5+,11-7-/t13?,15-,16-,17+/m0/s1

InChI Key

QYOPWKHLKFNPNL-SVGQIRFLSA-N

Formula

C17H24O6

SMILES

CC(=O)OC1CC2(C)COC(C)(C1)C2(O)C=CC(C)=CC(=O)O

Molecular Weight¹

324.37

• 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°	-413.04	kJ/mol	Joback Calculated Property
ΔfH°gas	-825.08	kJ/mol	Joback Calculated Property
ΔfusH°	34.74	kJ/mol	Joback Calculated Property
ΔvapH°	103.30	kJ/mol	Joback Calculated Property
log10WS	-2.84		Crippen Calculated Property
logPoct/wat	1.825		Crippen Calculated Property
McVol	246.690	ml/mol	McGowan Calculated Property
Pc	2315.84	kPa	Joback Calculated Property
Inp	[2225.00; 2225.00]
Inp	2225.00		NIST
Inp	2225.00		NIST
Tboil	951.43	K	Joback Calculated Property
Tc	1171.87	K	Joback Calculated Property
Tfus	619.59	K	Joback Calculated Property
Vc	0.927	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[854.04; 1038.21]	J/mol×K	[951.43; 1171.87]
Cp,gas	854.04	J/mol×K	951.43	Joback Calculated Property
Cp,gas	878.41	J/mol×K	988.17	Joback Calculated Property
Cp,gas	904.84	J/mol×K	1024.91	Joback Calculated Property
Cp,gas	933.67	J/mol×K	1061.65	Joback Calculated Property
Cp,gas	965.27	J/mol×K	1098.39	Joback Calculated Property
Cp,gas	1000.00	J/mol×K	1135.13	Joback Calculated Property
Cp,gas	1038.21	J/mol×K	1171.87	Joback Calculated Property

Similar Compounds

Find more compounds similar to Me-dihydrophaseic acid-Ac.

Sources

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

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