Chemical Properties of 6-(1'-Hydroxyethyl)-7-methoxy-2,2-dimethylchromene

InChI

InChI=1S/C14H18O3/c1-9(15)11-7-10-5-6-14(2,3)17-12(10)8-13(11)16-4/h5-9,15H,1-4H3

InChI Key

ZMQPULSGBXIVGC-UHFFFAOYSA-N

Formula

C14H18O3

SMILES

COc1cc2c(cc1C(C)O)C=CC(C)(C)O2

Molecular Weight¹

234.29

• 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 : 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	0.6890		Relay (... Calculated Property
ΔfG°	-106.74	kJ/mol	Joback Calculated Property
ΔfH°gas	-456.45	kJ/mol	Relay (... Calculated Property
ΔfusH°	25.58	kJ/mol	Joback Calculated Property
ΔvapH°	97.09	kJ/mol	Relay (... Calculated Property
IE	7.67	eV	Relay (... Calculated Property
log10WS	-2.78		Relay (... Calculated Property
logPoct/wat	2.933		Crippen Calculated Property
McVol	186.810	ml/mol	McGowan Calculated Property
Pc	2587.22	kPa	Joback Calculated Property
I	[2545.00; 2545.00]
I	2545.00		NIST
I	2545.00		NIST
Tboil	576.84	K	Relay (... Calculated Property
Tc	817.40	K	Relay (... Calculated Property
Tfus	404.26	K	Relay (... Calculated Property
Vc	0.700	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[524.29; 602.29]	J/mol×K	[712.86; 924.99]
Cp,gas	524.29	J/mol×K	712.86	Joback Calculated Property
Cp,gas	538.29	J/mol×K	748.22	Joback Calculated Property
Cp,gas	551.74	J/mol×K	783.57	Joback Calculated Property
Cp,gas	564.75	J/mol×K	818.93	Joback Calculated Property
Cp,gas	577.44	J/mol×K	854.28	Joback Calculated Property
Cp,gas	589.91	J/mol×K	889.64	Joback Calculated Property
Cp,gas	602.29	J/mol×K	924.99	Joback Calculated Property

Similar Compounds

Find more compounds similar to 6-(1'-Hydroxyethyl)-7-methoxy-2,2-dimethylchromene.

Sources

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

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