Chemical Properties of Glutaric acid, octyl trans-hex-3-enyl ester

InChI

InChI=1S/C19H34O4/c1-3-5-7-9-10-12-17-23-19(21)15-13-14-18(20)22-16-11-8-6-4-2/h6,8H,3-5,7,9-17H2,1-2H3/b8-6+

InChI Key

VLDUJUMKVCRXMY-SOFGYWHQSA-N

Formula

C19H34O4

SMILES

CCC=CCCOC(=O)CCCC(=O)OCCCCCCCC

Molecular Weight¹

326.47

• 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).
• IE : Ionization energy (eV).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-977.36	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	50.74	kJ/mol	Joback Calculated Property
ΔvapH°	93.37	kJ/mol	Relay (1.0) Calculated Property
IE	8.96	eV	Relay (1.0) Calculated Property
log10WS	-4.66		Relay (1.0) Calculated Property
logPoct/wat	4.960		Crippen Calculated Property
McVol	289.150	ml/mol	McGowan Calculated Property
Pc	1190.70	kPa	Joback Calculated Property
Inp	[2287.00; 2287.00]
Inp	2287.00		NIST
Inp	2287.00		NIST
Tboil	610.83	K	Relay (1.0) Calculated Property
Tc	775.94	K	Relay (1.0) Calculated Property
Tfus	245.30	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[884.09; 974.04]	J/mol×K	[790.86; 974.63]
Cp,gas	884.09	J/mol×K	790.86	Joback Calculated Property
Cp,gas	901.36	J/mol×K	821.49	Joback Calculated Property
Cp,gas	917.69	J/mol×K	852.12	Joback Calculated Property
Cp,gas	933.10	J/mol×K	882.74	Joback Calculated Property
Cp,gas	947.61	J/mol×K	913.37	Joback Calculated Property
Cp,gas	961.25	J/mol×K	944.00	Joback Calculated Property
Cp,gas	974.04	J/mol×K	974.63	Joback Calculated Property
η	[0.0000533; 0.0008689]	Pa×s	[443.13; 790.86]
η	0.0008689	Pa×s	443.13	Joback Calculated Property
η	0.0004171	Pa×s	501.08	Joback Calculated Property
η	0.0002331	Pa×s	559.04	Joback Calculated Property
η	0.0001453	Pa×s	617.00	Joback Calculated Property
η	0.0000983	Pa×s	674.95	Joback Calculated Property
η	0.0000707	Pa×s	732.90	Joback Calculated Property
η	0.0000533	Pa×s	790.86	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, octyl trans-hex-3-enyl 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.