Chemical Properties of 2H-1-Benzopyran, 6,7-dimethoxy-2,2-dimethyl- (CAS 644-06-4)

InChI

InChI=1S/C13H16O3/c1-13(2)6-5-9-7-11(14-3)12(15-4)8-10(9)16-13/h5-8H,1-4H3

InChI Key

PTIDGSWTMLSGAH-UHFFFAOYSA-N

Formula

C13H16O3

SMILES

COc1cc2c(cc1OC)OC(C)(C)C=C2

Molecular Weight¹

220.26

CAS

644-06-4

Other Names

• Ageratochromene
• Precocene 2
• Precocene II
• PRICOCENE II
• 6,7-Dimethoxy-2,2-dimethyl-2H-benzo(b)pyran
• 6,7-dimethoxy-2,2-dimethyl-(2H)-benzopyran (Precocene II )
• 6,7-dimethoxy-2,2-dimethyl2H-1-benzopyran

• 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.
• 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
ΔfG°	-80.90	kJ/mol	Joback Calculated Property
ΔfH°gas	-366.31	kJ/mol	Joback Calculated Property
ΔfusH°	23.61	kJ/mol	Joback Calculated Property
ΔvapH°	57.35	kJ/mol	Joback Calculated Property
log10WS	-3.50		Crippen Calculated Property
logPoct/wat	2.888		Crippen Calculated Property
McVol	172.720	ml/mol	McGowan Calculated Property
Pc	2532.82	kPa	Joback Calculated Property
Inp	[1634.00; 1683.00]
Inp	1683.00		NIST
Inp	1634.00		NIST
Inp	1656.00		NIST
Inp	1659.00		NIST
Inp	1659.00		NIST
Inp	1659.00		NIST
Inp	1634.00		NIST
I	[2373.00; 2412.00]
I	2373.00		NIST
I	2412.00		NIST
I	2396.00		NIST
I	2373.00		NIST
Tboil	620.66	K	Joback Calculated Property
Tc	846.08	K	Joback Calculated Property
Tfus	410.36	K	Joback Calculated Property
Vc	0.645	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[442.73; 526.13]	J/mol×K	[620.66; 846.08]
Cp,gas	442.73	J/mol×K	620.66	Joback Calculated Property
Cp,gas	458.28	J/mol×K	658.23	Joback Calculated Property
Cp,gas	473.01	J/mol×K	695.80	Joback Calculated Property
Cp,gas	487.06	J/mol×K	733.37	Joback Calculated Property
Cp,gas	500.52	J/mol×K	770.94	Joback Calculated Property
Cp,gas	513.50	J/mol×K	808.51	Joback Calculated Property
Cp,gas	526.13	J/mol×K	846.08	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2H-1-Benzopyran, 6,7-dimethoxy-2,2-dimethyl-.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.