Chemical Properties of Ascaridole (CAS 512-85-6)

InChI

InChI=1S/C10H16O2/c1-8(2)10-6-4-9(3,5-7-10)11-12-10/h4,6,8H,5,7H2,1-3H3

InChI Key

MGYMHQJELJYRQS-UHFFFAOYSA-N

Formula

C10H16O2

SMILES

CC(C)C12C=CC(C)(CC1)OO2

Molecular Weight¹

168.23

CAS

512-85-6

Other Names

• 2,3-Dioxabicyclo[2.2.2]oct-5-ene, 1-methyl-4-(1-methylethyl)-
• p-Menth-2-ene, 1,4-epidioxy-
• Ascaridol
• Ascaricum
• Ascarisin
• Askaridol
• 1,4-Peroxido-p-menthene-2
• 1,4-Peroxy-p-menth-2-ene
• 1,4-Epidioxy-p-menth-2-ene
• 2,3-Dioxabicyclo(2.2.2)oct-5-ene, 1-isopropyl-4-methyl-
• 1-Methyl-4-(1-methylethyl)-2,3-dioxabicyclo(2.2.2)oct-5-ene
• Ascaridiol
• NSC 406266
• (E)-Ascaridole
• 1,4-epidioxy-2-p-menthene

• 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_boilr : Boiling point at reduced pressure (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°	-25.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-297.47	kJ/mol	Joback Calculated Property
ΔfusH°	14.79	kJ/mol	Joback Calculated Property
ΔvapH°	44.65	kJ/mol	Joback Calculated Property
IE	[8.07; 8.42]	eV
IE	8.07	eV	NIST
IE	8.42	eV	NIST
log10WS	-2.80		Crippen Calculated Property
logPoct/wat	2.452		Crippen Calculated Property
McVol	137.480	ml/mol	McGowan Calculated Property
Pc	3257.86	kPa	Joback Calculated Property
Inp	[1221.00; 1280.00]
Inp	1238.00		NIST
Inp	1257.00		NIST
Inp	1247.00		NIST
Inp	1237.00		NIST
Inp	1273.00		NIST
Inp	1252.00		NIST
Inp	1221.00		NIST
Inp	1248.00		NIST
Inp	1245.00		NIST
Inp	1240.00		NIST
Inp	1234.00		NIST
Inp	1242.00		NIST
Inp	1280.00		NIST
Inp	1278.00		NIST
Inp	1238.00		NIST
Inp	1245.00		NIST
Inp	1278.00		NIST
I	[1860.00; 1889.00]
I	1860.00		NIST
I	1889.00		NIST
I	1889.00		NIST
I	1889.00		NIST
I	1860.00		NIST
Tboil	503.32	K	Joback Calculated Property
Tc	731.96	K	Joback Calculated Property
Tfus	276.40	K	NIST
Vc	0.511	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[337.22; 424.54]	J/mol×K	[503.32; 731.96]
Cp,gas	337.22	J/mol×K	503.32	Joback Calculated Property
Cp,gas	354.85	J/mol×K	541.43	Joback Calculated Property
Cp,gas	370.88	J/mol×K	579.53	Joback Calculated Property
Cp,gas	385.59	J/mol×K	617.64	Joback Calculated Property
Cp,gas	399.25	J/mol×K	655.74	Joback Calculated Property
Cp,gas	412.14	J/mol×K	693.85	Joback Calculated Property
Cp,gas	424.54	J/mol×K	731.96	Joback Calculated Property

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[312.20; 388.20]	K	[0.03; 2.00]
Tboilr	312.20	K	0.03	NIST
Tboilr	312.50 ± 0.50	K	0.03	NIST
Tboilr	388.20	K	2.00	NIST
Tboilr	388.00	K	2.00	NIST

Similar Compounds

Find more compounds similar to Ascaridole.

Sources

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

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