Chemical Properties of epi-Me-dihydrophaseic acid

InChI

InChI=1S/C15H22O5/c1-10(6-12(17)18)4-5-15(19)13(2)7-11(16)8-14(15,3)20-9-13/h4-6,11,16,19H,7-9H2,1-3H3,(H,17,18)/b5-4+,10-6-/t11?,13-,14-,15-/m0/s1

InChI Key

XIVFQYWMMJWUCD-MIYZNNEXSA-N

Formula

C15H22O5

SMILES

CC(C=CC1(O)C2(C)COC1(C)CC(O)C2)=CC(=O)O

Molecular Weight¹

282.33

• 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.
• 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	0.8500		Relay (1.0) Calculated Property
ΔfG°	-332.78	kJ/mol	Joback Calculated Property
ΔfH°gas	-881.35	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	30.86	kJ/mol	Joback Calculated Property
ΔvapH°	133.26	kJ/mol	Relay (1.0) Calculated Property
IE	8.08	eV	Relay (1.0) Calculated Property
log10WS	-1.79		Relay (1.0) Calculated Property
logPoct/wat	1.254		Crippen Calculated Property
McVol	216.940	ml/mol	McGowan Calculated Property
Pc	2953.69	kPa	Joback Calculated Property
Inp	[2126.00; 2126.00]
Inp	2126.00		NIST
Inp	2126.00		NIST
Tboil	608.34	K	Relay (1.0) Calculated Property
Tc	894.66	K	Relay (1.0) Calculated Property
Tfus	442.47	K	Relay (1.0) Calculated Property
Vc	0.761	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[745.44; 906.43]	J/mol×K	[921.56; 1134.10]
Cp,gas	745.44	J/mol×K	921.56	Joback Calculated Property
Cp,gas	766.52	J/mol×K	956.98	Joback Calculated Property
Cp,gas	789.46	J/mol×K	992.41	Joback Calculated Property
Cp,gas	814.59	J/mol×K	1027.83	Joback Calculated Property
Cp,gas	842.23	J/mol×K	1063.25	Joback Calculated Property
Cp,gas	872.74	J/mol×K	1098.67	Joback Calculated Property
Cp,gas	906.43	J/mol×K	1134.10	Joback Calculated Property

Similar Compounds

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

Sources

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

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