Chemical Properties of 2,2-dimethyl-6-vinylchroman-4-one

InChI

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

InChI Key

OKOIYQKVDCIBFR-UHFFFAOYSA-N

Formula

C13H14O2

SMILES

C=Cc1ccc2c(c1)C(=O)CC(C)(C)O2

Molecular Weight¹

202.25

• 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°	74.02	kJ/mol	Joback Calculated Property
ΔfH°gas	-160.45	kJ/mol	Joback Calculated Property
ΔfusH°	18.64	kJ/mol	Joback Calculated Property
ΔvapH°	55.15	kJ/mol	Joback Calculated Property
log10WS	-3.92		Crippen Calculated Property
logPoct/wat	3.073		Crippen Calculated Property
McVol	162.550	ml/mol	McGowan Calculated Property
Pc	2778.85	kPa	Joback Calculated Property
Inp	[1582.00; 1582.00]
Inp	1582.00		NIST
Inp	1582.00		NIST
Tboil	636.18	K	Joback Calculated Property
Tc	882.87	K	Joback Calculated Property
Tfus	419.08	K	Joback Calculated Property
Vc	0.612	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[419.98; 506.91]	J/mol×K	[636.18; 882.87]
Cp,gas	419.98	J/mol×K	636.18	Joback Calculated Property
Cp,gas	436.26	J/mol×K	677.29	Joback Calculated Property
Cp,gas	451.61	J/mol×K	718.41	Joback Calculated Property
Cp,gas	466.20	J/mol×K	759.52	Joback Calculated Property
Cp,gas	480.16	J/mol×K	800.64	Joback Calculated Property
Cp,gas	493.68	J/mol×K	841.75	Joback Calculated Property
Cp,gas	506.91	J/mol×K	882.87	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,2-dimethyl-6-vinylchroman-4-one.

Sources

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

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