Chemical Properties of Prohydrojasmon, isomer 1

InChI

InChI=1S/C15H26O3/c1-3-5-6-7-13-12(8-9-14(13)16)11-15(17)18-10-4-2/h12-13H,3-11H2,1-2H3

InChI Key

IPDFPNNPBMREIF-UHFFFAOYSA-N

Formula

C15H26O3

SMILES

CCCCCC1C(=O)CCC1CC(=O)OCCC

Molecular Weight¹

254.37

• 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°	-252.25	kJ/mol	Joback Calculated Property
ΔfH°gas	-695.29	kJ/mol	Joback Calculated Property
ΔfusH°	31.91	kJ/mol	Joback Calculated Property
ΔvapH°	62.33	kJ/mol	Joback Calculated Property
log10WS	-3.66		Crippen Calculated Property
logPoct/wat	3.505		Crippen Calculated Property
McVol	220.360	ml/mol	McGowan Calculated Property
Pc	1693.51	kPa	Joback Calculated Property
Inp	[1814.00; 1814.00]
Inp	1814.00		NIST
Inp	1814.00		NIST
Tboil	697.32	K	Joback Calculated Property
Tc	895.13	K	Joback Calculated Property
Tfus	405.85	K	Joback Calculated Property
Vc	0.847	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[654.85; 753.12]	J/mol×K	[697.32; 895.13]
Cp,gas	654.85	J/mol×K	697.32	Joback Calculated Property
Cp,gas	673.87	J/mol×K	730.29	Joback Calculated Property
Cp,gas	691.83	J/mol×K	763.26	Joback Calculated Property
Cp,gas	708.74	J/mol×K	796.23	Joback Calculated Property
Cp,gas	724.59	J/mol×K	829.19	Joback Calculated Property
Cp,gas	739.38	J/mol×K	862.16	Joback Calculated Property
Cp,gas	753.12	J/mol×K	895.13	Joback Calculated Property

Similar Compounds

Find more compounds similar to Prohydrojasmon, isomer 1.

Sources

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

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