Chemical Properties of 3-Thujopsanone

InChI

InChI=1S/C15H24O/c1-10-11-8-15(11)13(2,3)6-5-7-14(15,4)9-12(10)16/h10-11H,5-9H2,1-4H3/t10-,11-,14-,15-/m1/s1

InChI Key

LFWRAJWJODKLTN-YIKOMLBNSA-N

Formula

C15H24O

SMILES

CC1C(=O)CC2(C)CCCC(C)(C)C23CC13

Molecular Weight¹

220.35

• 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).
• 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.
• 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
ΔfG°	78.99	kJ/mol	Joback Calculated Property
ΔfH°gas	-279.51	kJ/mol	Joback Calculated Property
ΔfusH°	7.57	kJ/mol	Joback Calculated Property
ΔvapH°	49.24	kJ/mol	Joback Calculated Property
log10WS	-3.86		Crippen Calculated Property
logPoct/wat	3.818		Crippen Calculated Property
McVol	191.200	ml/mol	McGowan Calculated Property
Pc	2237.64	kPa	Joback Calculated Property
Inp	[1655.00; 1655.00]
Inp	1655.00		NIST
Inp	1655.00		NIST
Tboil	630.56	K	Joback Calculated Property
Tc	875.45	K	Joback Calculated Property
Tfus	437.03	K	Joback Calculated Property
Vc	0.730	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[561.94; 693.14]	J/mol×K	[630.56; 875.45]
Cp,gas	561.94	J/mol×K	630.56	Joback Calculated Property
Cp,gas	584.99	J/mol×K	671.37	Joback Calculated Property
Cp,gas	606.96	J/mol×K	712.19	Joback Calculated Property
Cp,gas	628.30	J/mol×K	753.00	Joback Calculated Property
Cp,gas	649.46	J/mol×K	793.82	Joback Calculated Property
Cp,gas	670.93	J/mol×K	834.63	Joback Calculated Property
Cp,gas	693.14	J/mol×K	875.45	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Thujopsanone.

Sources

• 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.