Chemical Properties of Me-2-trans-dihydrophaseic acid

InChI

InChI=1S/C16H24O5/c1-11(7-13(18)20-4)5-6-16(19)14(2)8-12(17)9-15(16,3)21-10-14/h5-7,12,17,19H,8-10H2,1-4H3/b6-5+,11-7+/t12?,14-,15-,16+/m0/s1

InChI Key

QNMHUZMKLBWTQM-PSCDLIPDSA-N

Formula

C16H24O5

SMILES

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

Molecular Weight¹

296.36

• 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°	-292.54	kJ/mol	Joback Calculated Property
ΔfH°gas	-691.86	kJ/mol	Joback Calculated Property
ΔfusH°	30.55	kJ/mol	Joback Calculated Property
ΔvapH°	94.33	kJ/mol	Joback Calculated Property
log10WS	-2.59		Crippen Calculated Property
logPoct/wat	1.343		Crippen Calculated Property
McVol	231.030	ml/mol	McGowan Calculated Property
Pc	2391.19	kPa	Joback Calculated Property
Inp	[2202.00; 2202.00]
Inp	2202.00		NIST
Inp	2202.00		NIST
Tboil	874.68	K	Joback Calculated Property
Tc	1086.40	K	Joback Calculated Property
Tfus	558.39	K	Joback Calculated Property
Vc	0.866	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[768.50; 913.86]	J/mol×K	[874.68; 1086.40]
Cp,gas	768.50	J/mol×K	874.68	Joback Calculated Property
Cp,gas	788.53	J/mol×K	909.97	Joback Calculated Property
Cp,gas	809.81	J/mol×K	945.25	Joback Calculated Property
Cp,gas	832.67	J/mol×K	980.54	Joback Calculated Property
Cp,gas	857.42	J/mol×K	1015.82	Joback Calculated Property
Cp,gas	884.38	J/mol×K	1051.11	Joback Calculated Property
Cp,gas	913.86	J/mol×K	1086.40	Joback Calculated Property

Similar Compounds

Find more compounds similar to Me-2-trans-dihydrophaseic acid.

Sources

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

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