Chemical Properties of Lavandulyl propionate (CAS 59550-34-4)

InChI

InChI=1S/C13H22O2/c1-6-13(14)15-9-12(11(4)5)8-7-10(2)3/h7,12H,4,6,8-9H2,1-3,5H3

InChI Key

NQCUUXYGJVLXAT-UHFFFAOYSA-N

Formula

C13H22O2

SMILES

C=C(C)C(CC=C(C)C)COC(=O)CC

Molecular Weight¹

210.31

CAS

59550-34-4

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	26.57	kJ/mol	Joback Calculated Property
ΔvapH°	67.98	kJ/mol	Relay (1.0) Calculated Property
IE	8.52	eV	Relay (1.0) Calculated Property
logPoct/wat	3.488		Crippen Calculated Property
McVol	192.870	ml/mol	McGowan Calculated Property
Pc	1812.32	kPa	Joback Calculated Property
Inp	[1375.00; 1375.00]
Inp	1375.00		NIST
Inp	1375.00		NIST
Tboil	519.72	K	Relay (1.0) Calculated Property
Tc	686.46	K	Relay (1.0) Calculated Property
Tfus	215.83	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[468.55; 556.07]	J/mol×K	[555.42; 739.97]
Cp,gas	468.55	J/mol×K	555.42	Joback Calculated Property
Cp,gas	485.09	J/mol×K	586.18	Joback Calculated Property
Cp,gas	500.81	J/mol×K	616.94	Joback Calculated Property
Cp,gas	515.74	J/mol×K	647.69	Joback Calculated Property
Cp,gas	529.91	J/mol×K	678.45	Joback Calculated Property
Cp,gas	543.34	J/mol×K	709.21	Joback Calculated Property
Cp,gas	556.07	J/mol×K	739.97	Joback Calculated Property

Similar Compounds

Find more compounds similar to Lavandulyl propionate.

Sources

• Cheméo Relay (1.0)
• 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.
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