Chemical Properties of trans-Ascaridolglycol

InChI

InChI=1S/C10H18O2/c1-8(2)10(12)6-4-9(3,11)5-7-10/h4,6,8,11-12H,5,7H2,1-3H3/t9-,10-/m1/s1

InChI Key

WHOYVNZMAORLBI-NXEZZACHSA-N

Formula

C10H18O2

SMILES

CC(C)C1(O)C=CC(C)(O)CC1

Molecular Weight¹

170.25

• 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	0.6217		Relay (1.0) Calculated Property
ΔfG°	-207.04	kJ/mol	Joback Calculated Property
ΔfH°gas	-413.48	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	7.84	kJ/mol	Joback Calculated Property
ΔvapH°	81.16	kJ/mol	Relay (1.0) Calculated Property
IE	8.93	eV	Relay (1.0) Calculated Property
log10WS	-1.27		Relay (1.0) Calculated Property
logPoct/wat	1.475		Crippen Calculated Property
McVol	148.340	ml/mol	McGowan Calculated Property
Pc	3509.58	kPa	Joback Calculated Property
Inp	[1249.00; 1249.00]
Inp	1249.00		NIST
Inp	1249.00		NIST
I	[2105.00; 2105.00]
I	2105.00		NIST
I	2105.00		NIST
Tboil	498.82	K	Relay (1.0) Calculated Property
Tc	708.18	K	Relay (1.0) Calculated Property
Tfus	340.24	K	Relay (1.0) Calculated Property
Vc	0.536	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[407.11; 477.96]	J/mol×K	[626.64; 820.71]
Cp,gas	407.11	J/mol×K	626.64	Joback Calculated Property
Cp,gas	419.81	J/mol×K	658.98	Joback Calculated Property
Cp,gas	431.96	J/mol×K	691.33	Joback Calculated Property
Cp,gas	443.70	J/mol×K	723.67	Joback Calculated Property
Cp,gas	455.19	J/mol×K	756.02	Joback Calculated Property
Cp,gas	466.56	J/mol×K	788.36	Joback Calculated Property
Cp,gas	477.96	J/mol×K	820.71	Joback Calculated Property

Similar Compounds

Find more compounds similar to trans-Ascaridolglycol.

Sources

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

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