Chemical Properties of Phthalic acid, cis-hex-3-enyl pentadecyl ester

InChI

InChI=1S/C29H46O4/c1-3-5-7-9-10-11-12-13-14-15-16-17-21-25-33-29(31)27-23-19-18-22-26(27)28(30)32-24-20-8-6-4-2/h6,8,18-19,22-23H,3-5,7,9-17,20-21,24-25H2,1-2H3/b8-6+

InChI Key

MXMVDZVYKLRZRW-VURMDHGXSA-N

Formula

C29H46O4

SMILES

CC/C=C\CCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCCCCCC

Molecular Weight¹

458.68

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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
ω	1.2489		Relay (1.0) Calculated Property
ΔfH°gas	-922.39	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	73.46	kJ/mol	Joback Calculated Property
ΔvapH°	131.85	kJ/mol	Relay (1.0) Calculated Property
log10WS	-8.03		Relay (1.0) Calculated Property
logPoct/wat	8.448		Crippen Calculated Property
McVol	406.290	ml/mol	McGowan Calculated Property
Pc	761.42	kPa	Joback Calculated Property
Inp	[3254.00; 3254.00]
Inp	3254.00		NIST
Inp	3254.00		NIST
Tboil	692.70	K	Relay (1.0) Calculated Property
Tc	903.91	K	Relay (1.0) Calculated Property
Tfus	249.23	K	Relay (1.0) Calculated Property
Vc	1.506	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation, Ionization energy 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	[1387.22; 1472.06]	J/mol×K	[1015.38; 1246.99]
Cp,gas	1387.22	J/mol×K	1015.38	Joback Calculated Property
Cp,gas	1405.27	J/mol×K	1053.98	Joback Calculated Property
Cp,gas	1421.63	J/mol×K	1092.58	Joback Calculated Property
Cp,gas	1436.40	J/mol×K	1131.18	Joback Calculated Property
Cp,gas	1449.67	J/mol×K	1169.79	Joback Calculated Property
Cp,gas	1461.52	J/mol×K	1208.39	Joback Calculated Property
Cp,gas	1472.06	J/mol×K	1246.99	Joback Calculated Property
η	[0.0000094; 0.0002658]	Pa×s	[535.11; 1015.38]
η	0.0002658	Pa×s	535.11	Joback Calculated Property
η	0.0001060	Pa×s	615.15	Joback Calculated Property
η	0.0000523	Pa×s	695.20	Joback Calculated Property
η	0.0000298	Pa×s	775.24	Joback Calculated Property
η	0.0000189	Pa×s	855.29	Joback Calculated Property
η	0.0000129	Pa×s	935.33	Joback Calculated Property
η	0.0000094	Pa×s	1015.38	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, cis-hex-3-enyl pentadecyl ester.

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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