Chemical Properties of Fragranyl propanoate (CAS 926039-04-5)

InChI

InChI=1S/C13H22O2/c1-5-12(14)15-9-8-13(4)7-6-11(13)10(2)3/h11H,2,5-9H2,1,3-4H3

InChI Key

JUBMNPQMJVLLON-UHFFFAOYSA-N

Formula

C13H22O2

SMILES

C=C(C)C1CCC1(C)CCOC(=O)CC

Molecular Weight¹

210.31

CAS

926039-04-5

• 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°	-60.60	kJ/mol	Joback Calculated Property
ΔfH°gas	-379.27	kJ/mol	Joback Calculated Property
ΔfusH°	20.43	kJ/mol	Joback Calculated Property
ΔvapH°	51.72	kJ/mol	Joback Calculated Property
log10WS	-3.39		Crippen Calculated Property
logPoct/wat	3.322		Crippen Calculated Property
McVol	186.310	ml/mol	McGowan Calculated Property
Pc	2054.89	kPa	Joback Calculated Property
Inp	[1440.70; 1440.70]
Inp	1440.70		NIST
Inp	1440.70		NIST
Tboil	576.27	K	Joback Calculated Property
Tc	774.26	K	Joback Calculated Property
Tfus	326.79	K	Joback Calculated Property
Vc	0.716	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[481.38; 575.78]	J/mol×K	[576.27; 774.26]
Cp,gas	481.38	J/mol×K	576.27	Joback Calculated Property
Cp,gas	499.13	J/mol×K	609.27	Joback Calculated Property
Cp,gas	515.95	J/mol×K	642.27	Joback Calculated Property
Cp,gas	531.93	J/mol×K	675.27	Joback Calculated Property
Cp,gas	547.17	J/mol×K	708.26	Joback Calculated Property
Cp,gas	561.75	J/mol×K	741.26	Joback Calculated Property
Cp,gas	575.78	J/mol×K	774.26	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fragranyl propanoate.

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.