Chemical Properties of «alpha»-agorofuran (CAS 5956-12-7)

InChI

InChI=1S/C15H24O/c1-11-6-5-8-14(4)9-7-12-10-15(11,14)16-13(12,2)3/h6,12H,5,7-10H2,1-4H3

InChI Key

ZLQADKTVJQXDIG-UHFFFAOYSA-N

Formula

C15H24O

SMILES

CC1=CCCC2(C)CCC3CC12OC3(C)C

Molecular Weight¹

220.35

CAS

5956-12-7

Other Names

• «alpha»-Agarofuran

• 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°	131.40	kJ/mol	Joback Calculated Property
ΔfH°gas	-213.32	kJ/mol	Joback Calculated Property
ΔfusH°	13.70	kJ/mol	Joback Calculated Property
ΔvapH°	50.94	kJ/mol	Joback Calculated Property
log10WS	-4.47		Crippen Calculated Property
logPoct/wat	4.080		Crippen Calculated Property
McVol	191.200	ml/mol	McGowan Calculated Property
Pc	2313.61	kPa	Joback Calculated Property
Inp	[1535.00; 1581.00]
Inp	1539.00		NIST
Inp	1552.00		NIST
Inp	1545.00		NIST
Inp	1536.00		NIST
Inp	1543.00		NIST
Inp	1535.00		NIST
Inp	1546.00		NIST
Inp	1556.10		NIST
Inp	1553.00		NIST
Inp	Outlier 1581.00		NIST
Inp	1555.00		NIST
Inp	1546.00		NIST
Inp	1550.00		NIST
Inp	1569.00		NIST
Inp	1550.00		NIST
Inp	1543.00		NIST
Inp	1567.00		NIST
Inp	1540.00		NIST
Inp	1553.00		NIST
Inp	1569.00		NIST
Inp	1539.00		NIST
I	[1861.00; 1907.00]
I	1861.00		NIST
I	1878.00		NIST
I	1907.00		NIST
I	1861.00		NIST
Tboil	602.77	K	Joback Calculated Property
Tc	842.98	K	Joback Calculated Property
Tfus	409.38	K	Joback Calculated Property
Vc	0.723	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[537.54; 659.36]	J/mol×K	[602.77; 842.98]
Cp,gas	537.54	J/mol×K	602.77	Joback Calculated Property
Cp,gas	559.70	J/mol×K	642.81	Joback Calculated Property
Cp,gas	580.49	J/mol×K	682.84	Joback Calculated Property
Cp,gas	600.39	J/mol×K	722.88	Joback Calculated Property
Cp,gas	619.85	J/mol×K	762.91	Joback Calculated Property
Cp,gas	639.36	J/mol×K	802.95	Joback Calculated Property
Cp,gas	659.36	J/mol×K	842.98	Joback Calculated Property

Similar Compounds

Find more compounds similar to «alpha»-agorofuran.

Sources

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

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.