Chemical Properties of Ledol, isomer 1

InChI

InChI=1S/C15H26O/c1-9-5-6-10-12(9)13-11(14(13,2)3)7-8-15(10,4)16/h9-13,16H,5-8H2,1-4H3/t9-,10?,11+,12?,13+,15?/m0/s1

InChI Key

AYXPYQRXGNDJFU-DOSZEEPNSA-N

Formula

C15H26O

SMILES

CC1CCC2C1C1C(CCC2(C)O)C1(C)C

Molecular Weight¹

222.37

• 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.
• 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
ω	0.5308		Relay (1.0) Calculated Property
ΔfG°	54.83	kJ/mol	Joback Calculated Property
ΔfH°gas	-321.44	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.59	kJ/mol	Joback Calculated Property
ΔvapH°	85.63	kJ/mol	Relay (1.0) Calculated Property
IE	8.70	eV	Relay (1.0) Calculated Property
log10WS	-4.36		Relay (1.0) Calculated Property
logPoct/wat	3.466		Crippen Calculated Property
McVol	195.500	ml/mol	McGowan Calculated Property
Pc	2127.56	kPa	Joback Calculated Property
Inp	[1575.00; 1609.00]
Inp	1575.00		NIST
Inp	1583.00		NIST
Inp	1609.00		NIST
I	[2060.00; 2060.00]
I	2060.00		NIST
I	2060.00		NIST
Tboil	546.35	K	Relay (1.0) Calculated Property
Tc	805.10	K	Relay (1.0) Calculated Property
Tfus	358.60	K	Relay (1.0) Calculated Property
Vc	0.712	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[600.58; 713.82]	J/mol×K	[645.34; 851.43]
Cp,gas	600.58	J/mol×K	645.34	Joback Calculated Property
Cp,gas	621.09	J/mol×K	679.69	Joback Calculated Property
Cp,gas	640.66	J/mol×K	714.04	Joback Calculated Property
Cp,gas	659.50	J/mol×K	748.38	Joback Calculated Property
Cp,gas	677.83	J/mol×K	782.73	Joback Calculated Property
Cp,gas	695.86	J/mol×K	817.08	Joback Calculated Property
Cp,gas	713.82	J/mol×K	851.43	Joback Calculated Property

Similar Compounds

Find more compounds similar to Ledol, isomer 1.

Sources

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

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