Chemical Properties of trans-Isolongifolanone

InChI

InChI=1S/C15H24O/c1-13(2)7-6-11(16)12-14(3,4)10-5-8-15(12,13)9-10/h10,12H,5-9H2,1-4H3/t10-,12?,15-/m0/s1

InChI Key

VCOCESNMLNDPLX-BTXGZQJSSA-N

Formula

C15H24O

SMILES

CC1(C)C2CCC3(C2)C1C(=O)CCC3(C)C

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	[1627.00; 1627.00]
Inp	1627.00		NIST
Inp	1627.00		NIST
Inp	1627.00		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 trans-Isolongifolanone.

Sources

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

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