Chemical Properties of Isocalamendiol

InChI

InChI=1S/C15H26O2/c1-10(2)12-7-8-14(4,16)13-6-5-11(3)9-15(12,13)17/h10,12-13,16-17H,3,5-9H2,1-2,4H3

InChI Key

AHNGXHRYFGQWSL-UHFFFAOYSA-N

Formula

C15H26O2

SMILES

C=C1CCC2C(C)(O)CCC(C(C)C)C2(O)C1

Molecular Weight¹

238.37

• 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°	-100.88	kJ/mol	Joback Calculated Property
ΔfH°gas	-467.67	kJ/mol	Joback Calculated Property
ΔfusH°	15.52	kJ/mol	Joback Calculated Property
ΔvapH°	79.71	kJ/mol	Joback Calculated Property
log10WS	-3.77		Crippen Calculated Property
logPoct/wat	2.891		Crippen Calculated Property
McVol	207.930	ml/mol	McGowan Calculated Property
Pc	2349.64	kPa	Joback Calculated Property
Inp	[1728.00; 1730.00]
Inp	1728.00		NIST
Inp	1730.00		NIST
Inp	1730.00		NIST
Inp	1728.00		NIST
I	[2462.00; 2500.00]
I	2500.00		NIST
I	2462.00		NIST
I	2462.00		NIST
I	2500.00		NIST
Tboil	747.38	K	Joback Calculated Property
Tc	947.43	K	Joback Calculated Property
Tfus	440.25	K	Joback Calculated Property
Vc	0.767	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[662.10; 765.10]	J/mol×K	[747.38; 947.43]
Cp,gas	662.10	J/mol×K	747.38	Joback Calculated Property
Cp,gas	679.55	J/mol×K	780.72	Joback Calculated Property
Cp,gas	696.66	J/mol×K	814.06	Joback Calculated Property
Cp,gas	713.60	J/mol×K	847.40	Joback Calculated Property
Cp,gas	730.54	J/mol×K	880.75	Joback Calculated Property
Cp,gas	747.65	J/mol×K	914.09	Joback Calculated Property
Cp,gas	765.10	J/mol×K	947.43	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isocalamendiol.

Sources

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

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