Chemical Properties of Tasmanone (CAS 22595-52-4)

InChI

InChI=1S/C14H20O4/c1-7(2)10(15)9-11(16)8(3)13(18-6)14(4,5)12(9)17/h7,9H,1-6H3

InChI Key

WZXQWLWGLWIQGK-UHFFFAOYSA-N

Formula

C14H20O4

SMILES

COC1=C(C)C(=O)C(C(=O)C(C)C)C(=O)C1(C)C

Molecular Weight¹

252.31

CAS

22595-52-4

• 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	0.4865		Relay (... Calculated Property
ΔfG°	-392.59	kJ/mol	Joback Calculated Property
ΔfH°gas	-663.19	kJ/mol	Relay (... Calculated Property
ΔfusH°	17.35	kJ/mol	Joback Calculated Property
ΔvapH°	69.17	kJ/mol	Relay (... Calculated Property
IE	8.17	eV	Relay (... Calculated Property
log10WS	-2.59		Relay (... Calculated Property
logPoct/wat	1.926		Crippen Calculated Property
McVol	203.540	ml/mol	McGowan Calculated Property
Pc	2038.23	kPa	Joback Calculated Property
Inp	[1698.00; 1698.00]
Inp	1698.00		NIST
Inp	1698.00		NIST
I	[2288.00; 2303.00]
I	2288.00		NIST
I	2303.00		NIST
I	2303.00		NIST
I	2303.00		NIST
I	2303.00		NIST
I	2303.00		NIST
I	2303.00		NIST
I	2303.00		NIST
I	2303.00		NIST
I	2288.00		NIST
Tboil	550.84	K	Relay (... Calculated Property
Tc	768.11	K	Relay (... Calculated Property
Tfus	375.00	K	Relay (... Calculated Property
Vc	0.686	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[607.91; 704.61]	J/mol×K	[755.45; 985.94]
Cp,gas	607.91	J/mol×K	755.45	Joback Calculated Property
Cp,gas	626.12	J/mol×K	793.86	Joback Calculated Property
Cp,gas	643.45	J/mol×K	832.28	Joback Calculated Property
Cp,gas	659.93	J/mol×K	870.69	Joback Calculated Property
Cp,gas	675.59	J/mol×K	909.11	Joback Calculated Property
Cp,gas	690.47	J/mol×K	947.52	Joback Calculated Property
Cp,gas	704.61	J/mol×K	985.94	Joback Calculated Property

Similar Compounds

Find more compounds similar to Tasmanone.

Sources

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

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