Chemical Properties of Glutaric acid, cyclohexylmethyl nonyl ester

InChI

InChI=1S/C21H38O4/c1-2-3-4-5-6-7-11-17-24-20(22)15-12-16-21(23)25-18-19-13-9-8-10-14-19/h19H,2-18H2,1H3

InChI Key

JKZKJTIPURQYHX-UHFFFAOYSA-N

Formula

C21H38O4

SMILES

CCCCCCCCCOC(=O)CCCC(=O)OCC1CCCCC1

Molecular Weight¹

354.52

• 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	0.9634		Relay (1.0) Calculated Property
ΔfH°gas	-1052.00	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	47.55	kJ/mol	Joback Calculated Property
ΔvapH°	101.24	kJ/mol	Relay (1.0) Calculated Property
log10WS	-5.34		Relay (1.0) Calculated Property
logPoct/wat	5.574		Crippen Calculated Property
McVol	310.770	ml/mol	McGowan Calculated Property
Pc	1159.29	kPa	Joback Calculated Property
Inp	[2576.00; 2576.00]
Inp	2576.00		NIST
Inp	2576.00		NIST
Tboil	656.84	K	Relay (1.0) Calculated Property
Tc	833.28	K	Relay (1.0) Calculated Property
Tfus	275.11	K	Relay (1.0) Calculated Property
Vc	1.164	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	[1027.64; 1122.19]	J/mol×K	[852.01; 1049.36]
Cp,gas	1027.64	J/mol×K	852.01	Joback Calculated Property
Cp,gas	1046.67	J/mol×K	884.90	Joback Calculated Property
Cp,gas	1064.35	J/mol×K	917.79	Joback Calculated Property
Cp,gas	1080.72	J/mol×K	950.68	Joback Calculated Property
Cp,gas	1095.80	J/mol×K	983.58	Joback Calculated Property
Cp,gas	1109.61	J/mol×K	1016.47	Joback Calculated Property
Cp,gas	1122.19	J/mol×K	1049.36	Joback Calculated Property
η	[0.0000476; 0.0008554]	Pa×s	[478.13; 852.01]
η	0.0008554	Pa×s	478.13	Joback Calculated Property
η	0.0004003	Pa×s	540.44	Joback Calculated Property
η	0.0002192	Pa×s	602.76	Joback Calculated Property
η	0.0001344	Pa×s	665.07	Joback Calculated Property
η	0.0000896	Pa×s	727.38	Joback Calculated Property
η	0.0000637	Pa×s	789.70	Joback Calculated Property
η	0.0000476	Pa×s	852.01	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, cyclohexylmethyl nonyl 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.