Chemical Properties of Succinic acid, tridec-2-yn-1-yl 3-methoxyphenyl ester

InChI

InChI=1S/C24H34O5/c1-3-4-5-6-7-8-9-10-11-12-13-19-28-23(25)17-18-24(26)29-22-16-14-15-21(20-22)27-2/h14-16,20H,3-11,17-19H2,1-2H3

InChI Key

WPLMOOSYHNKBHV-UHFFFAOYSA-N

Formula

C24H34O5

SMILES

CCCCCCCCCCC#CCOC(=O)CCC(=O)Oc1cccc(OC)c1

Molecular Weight¹

402.52

• 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°	-116.06	kJ/mol	Joback Calculated Property
ΔfH°gas	-663.15	kJ/mol	Joback Calculated Property
ΔfusH°	61.45	kJ/mol	Joback Calculated Property
ΔvapH°	94.83	kJ/mol	Joback Calculated Property
log10WS	-6.84		Crippen Calculated Property
logPoct/wat	5.458		Crippen Calculated Property
McVol	337.410	ml/mol	McGowan Calculated Property
Pc	1132.91	kPa	Joback Calculated Property
Inp	[3086.00; 3086.00]
Inp	3086.00		NIST
Inp	3086.00		NIST
Tboil	964.18	K	Joback Calculated Property
Tc	1182.27	K	Joback Calculated Property
Tfus	671.83	K	Joback Calculated Property
Vc	1.300	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1093.38; 1162.38]	J/mol×K	[964.18; 1182.27]
Cp,gas	1093.38	J/mol×K	964.18	Joback Calculated Property
Cp,gas	1108.57	J/mol×K	1000.53	Joback Calculated Property
Cp,gas	1122.26	J/mol×K	1036.88	Joback Calculated Property
Cp,gas	1134.46	J/mol×K	1073.23	Joback Calculated Property
Cp,gas	1145.20	J/mol×K	1109.57	Joback Calculated Property
Cp,gas	1154.50	J/mol×K	1145.92	Joback Calculated Property
Cp,gas	1162.38	J/mol×K	1182.27	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, tridec-2-yn-1-yl 3-methoxyphenyl ester.

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.