Chemical Properties of «beta»-Agarofuran

InChI

InChI=1S/C15H24O/c1-11-6-5-8-14(4)9-7-12-10-15(11,14)16-13(12,2)3/h12H,1,5-10H2,2-4H3/t12-,14+,15+/m1/s1

InChI Key

XWTXUKLVEPDOQT-SNPRPXQTSA-N

Formula

C15H24O

SMILES

C=C1CCCC2(C)CCC3CC12OC3(C)C

Molecular Weight¹

220.35

• 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_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
ω	0.3496		Relay (1.0) Calculated Property
ΔfG°	164.15	kJ/mol	Joback Calculated Property
ΔfH°gas	-261.76	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	11.71	kJ/mol	Joback Calculated Property
ΔvapH°	63.86	kJ/mol	Relay (1.0) Calculated Property
IE	8.33	eV	Relay (1.0) Calculated Property
log10WS	-3.62		Relay (1.0) Calculated Property
logPoct/wat	4.080		Crippen Calculated Property
McVol	191.200	ml/mol	McGowan Calculated Property
Pc	2309.17	kPa	Joback Calculated Property
Inp	[1473.00; 1474.00]
Inp	1473.00		NIST
Inp	1474.00		NIST
Inp	1474.00		NIST
Inp	1473.00		NIST
Tboil	538.50	K	Relay (1.0) Calculated Property
Tc	777.25	K	Relay (1.0) Calculated Property
Tfus	336.33	K	Relay (1.0) Calculated Property
Vc	0.696	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[536.39; 658.65]	J/mol×K	[597.79; 836.76]
Cp,gas	536.39	J/mol×K	597.79	Joback Calculated Property
Cp,gas	558.80	J/mol×K	637.62	Joback Calculated Property
Cp,gas	579.78	J/mol×K	677.45	Joback Calculated Property
Cp,gas	599.81	J/mol×K	717.28	Joback Calculated Property
Cp,gas	619.32	J/mol×K	757.11	Joback Calculated Property
Cp,gas	638.78	J/mol×K	796.94	Joback Calculated Property
Cp,gas	658.65	J/mol×K	836.76	Joback Calculated Property

Similar Compounds

Find more compounds similar to «beta»-Agarofuran.

Sources

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

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