Chemical Properties of Agarospirol (CAS 1460-73-7)

InChI

InChI=1S/C15H26O/c1-11-6-5-7-12(2)15(11)9-8-13(10-15)14(3,4)16/h6,12-13,16H,5,7-10H2,1-4H3/t12-,13-,15+/m0/s1

InChI Key

ICWHTQRTTHCUHW-KCQAQPDRSA-N

Formula

C15H26O

SMILES

CC1=CCCC(C)C12CCC(C(C)(C)O)C2

Molecular Weight¹

222.37

CAS

1460-73-7

Other Names

• Agaruspirol

• 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°	21.67	kJ/mol	Joback Calculated Property
ΔfH°gas	-351.74	kJ/mol	Joback Calculated Property
ΔfusH°	14.76	kJ/mol	Joback Calculated Property
ΔvapH°	64.38	kJ/mol	Joback Calculated Property
log10WS	-4.39		Crippen Calculated Property
logPoct/wat	3.920		Crippen Calculated Property
McVol	202.060	ml/mol	McGowan Calculated Property
Pc	2155.30	kPa	Joback Calculated Property
Inp	[1620.00; 1679.00]
Inp	1646.00		NIST
Inp	1642.10		NIST
Inp	1643.00		NIST
Inp	1628.00		NIST
Inp	1646.00		NIST
Inp	Outlier 1679.00		NIST
Inp	1620.00		NIST
Inp	1648.00		NIST
Inp	1631.00		NIST
Inp	1639.00		NIST
Inp	1631.00		NIST
Tboil	661.82	K	Joback Calculated Property
Tc	874.07	K	Joback Calculated Property
Tfus	376.79	K	Joback Calculated Property
Vc	0.749	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[598.13; 704.35]	J/mol×K	[661.82; 874.07]
Cp,gas	598.13	J/mol×K	661.82	Joback Calculated Property
Cp,gas	618.08	J/mol×K	697.19	Joback Calculated Property
Cp,gas	636.92	J/mol×K	732.57	Joback Calculated Property
Cp,gas	654.81	J/mol×K	767.94	Joback Calculated Property
Cp,gas	671.91	J/mol×K	803.32	Joback Calculated Property
Cp,gas	688.38	J/mol×K	838.69	Joback Calculated Property
Cp,gas	704.35	J/mol×K	874.07	Joback Calculated Property

Similar Compounds

Find more compounds similar to Agarospirol.

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.