Chemical Properties of Santamarine (CAS 4290-13-5)

InChI

InChI=1S/C15H20O3/c1-8-4-5-11(16)15(3)7-6-10-9(2)14(17)18-13(10)12(8)15/h4,10-13,16H,2,5-7H2,1,3H3

InChI Key

PLSSEPIRACGCBO-UHFFFAOYSA-N

Formula

C15H20O3

SMILES

C=C1C(=O)OC2C1CCC1(C)C(O)CC=C(C)C21

Molecular Weight¹

248.32

CAS

4290-13-5

• 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°	-83.76	kJ/mol	Joback Calculated Property
ΔfH°gas	-475.99	kJ/mol	Joback Calculated Property
ΔfusH°	27.71	kJ/mol	Joback Calculated Property
ΔvapH°	74.19	kJ/mol	Joback Calculated Property
log10WS	-3.12		Crippen Calculated Property
logPoct/wat	2.211		Crippen Calculated Property
McVol	194.340	ml/mol	McGowan Calculated Property
Pc	2424.27	kPa	Joback Calculated Property
Inp	[2227.00; 2227.00]
Inp	2227.00		NIST
Inp	2227.00		NIST
Tboil	761.05	K	Joback Calculated Property
Tc	985.40	K	Joback Calculated Property
Tfus	496.54	K	Joback Calculated Property
Vc	0.728	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[626.84; 725.26]	J/mol×K	[761.05; 985.40]
Cp,gas	626.84	J/mol×K	761.05	Joback Calculated Property
Cp,gas	644.68	J/mol×K	798.44	Joback Calculated Property
Cp,gas	661.77	J/mol×K	835.83	Joback Calculated Property
Cp,gas	678.24	J/mol×K	873.22	Joback Calculated Property
Cp,gas	694.23	J/mol×K	910.62	Joback Calculated Property
Cp,gas	709.85	J/mol×K	948.01	Joback Calculated Property
Cp,gas	725.26	J/mol×K	985.40	Joback Calculated Property

Similar Compounds

Find more compounds similar to Santamarine.

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.