Chemical Properties of Piperitenone oxide (CAS 35178-55-3)

InChI

InChI=1S/C10H14O2/c1-6(2)7-4-8(11)10(3)9(5-7)12-10/h7,9H,1,4-5H2,2-3H3/t7-,9-,10+/m0/s1

InChI Key

YGMNGQDLUQECTO-UJNFCWOMSA-N

Formula

C10H14O2

SMILES

C=C(C)C1CC(=O)C2(C)OC2C1

Molecular Weight¹

166.22

CAS

35178-55-3

• 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	0.3631		Relay (... Calculated Property
ΔfG°	0.10	kJ/mol	Joback Calculated Property
ΔfH°gas	-267.36	kJ/mol	Relay (... Calculated Property
ΔfusH°	15.50	kJ/mol	Joback Calculated Property
ΔvapH°	56.62	kJ/mol	Relay (... Calculated Property
IE	9.10	eV	Relay (... Calculated Property
log10WS	-2.18		Relay (... Calculated Property
logPoct/wat	1.699		Crippen Calculated Property
McVol	133.180	ml/mol	McGowan Calculated Property
Pc	3059.17	kPa	Joback Calculated Property
Inp	[1317.00; 1386.00]
Inp	1352.00		NIST
Inp	1363.00		NIST
Inp	1342.00		NIST
Inp	1368.00		NIST
Inp	1363.00		NIST
Inp	1366.00		NIST
Inp	1365.00		NIST
Inp	1373.00		NIST
Inp	1368.00		NIST
Inp	1363.00		NIST
Inp	1326.00		NIST
Inp	1333.00		NIST
Inp	1369.00		NIST
Inp	1386.00		NIST
Inp	1369.00		NIST
Inp	1363.00		NIST
Inp	Outlier 1317.00		NIST
Inp	1369.00		NIST
Inp	1330.00		NIST
Inp	1366.00		NIST
Inp	1333.00		NIST
Inp	1363.00		NIST
Inp	1369.00		NIST
Inp	1369.00		NIST
Inp	1368.00		NIST
Inp	1352.00		NIST
Inp	1369.00		NIST
Inp	1366.00		NIST
I	[1940.00; 1984.00]
I	1945.00		NIST
I	1940.00		NIST
I	1984.00		NIST
I	1983.00		NIST
I	1983.00		NIST
I	1984.00		NIST
I	1940.00		NIST
Tboil	489.21	K	Relay (... Calculated Property
Tc	709.53	K	Relay (... Calculated Property
Tfus	310.85	K	Relay (... Calculated Property
Vc	0.480	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[336.75; 425.06]	J/mol×K	[532.85; 763.26]
Cp,gas	336.75	J/mol×K	532.85	Joback Calculated Property
Cp,gas	353.90	J/mol×K	571.25	Joback Calculated Property
Cp,gas	369.88	J/mol×K	609.65	Joback Calculated Property
Cp,gas	384.83	J/mol×K	648.05	Joback Calculated Property
Cp,gas	398.91	J/mol×K	686.46	Joback Calculated Property
Cp,gas	412.27	J/mol×K	724.86	Joback Calculated Property
Cp,gas	425.06	J/mol×K	763.26	Joback Calculated Property

Similar Compounds

Find more compounds similar to Piperitenone oxide.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.