Chemical Properties of (.+/-.)-Tremetone (CAS 59183-49-2)

InChI

InChI=1S/C13H14O2/c1-8(2)13-7-11-6-10(9(3)14)4-5-12(11)15-13/h4-6,13H,1,7H2,2-3H3

InChI Key

UVYUUQGGBNKRFU-UHFFFAOYSA-N

Formula

C13H14O2

SMILES

C=C(C)C1Cc2cc(C(C)=O)ccc2O1

Molecular Weight¹

202.25

CAS

59183-49-2

• 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°	76.73	kJ/mol	Joback Calculated Property
ΔfH°gas	-154.20	kJ/mol	Joback Calculated Property
ΔfusH°	27.81	kJ/mol	Joback Calculated Property
ΔvapH°	58.71	kJ/mol	Joback Calculated Property
log10WS	-3.75		Crippen Calculated Property
logPoct/wat	2.769		Crippen Calculated Property
McVol	162.550	ml/mol	McGowan Calculated Property
Pc	2673.54	kPa	Joback Calculated Property
Inp	[1746.70; 1746.70]
Inp	1746.70		NIST
Inp	1746.70		NIST
Tboil	617.60	K	Joback Calculated Property
Tc	845.46	K	Joback Calculated Property
Tfus	366.45	K	Joback Calculated Property
Vc	0.622	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[411.26; 487.83]	J/mol×K	[617.60; 845.46]
Cp,gas	411.26	J/mol×K	617.60	Joback Calculated Property
Cp,gas	426.38	J/mol×K	655.58	Joback Calculated Property
Cp,gas	440.47	J/mol×K	693.55	Joback Calculated Property
Cp,gas	453.58	J/mol×K	731.53	Joback Calculated Property
Cp,gas	465.80	J/mol×K	769.51	Joback Calculated Property
Cp,gas	477.19	J/mol×K	807.49	Joback Calculated Property
Cp,gas	487.83	J/mol×K	845.46	Joback Calculated Property

Similar Compounds

Find more compounds similar to (.+/-.)-Tremetone.

Sources

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

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