Chemical Properties of propyl dotriacontanoate

InChI

InChI=1S/C35H70O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-35(36)37-34-4-2/h3-34H2,1-2H3

InChI Key

XFCFEODJNQMKLS-UHFFFAOYSA-N

Formula

C35H70O2

SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCC

Molecular Weight¹

522.93

• 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).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	1.4987		Relay (1.0) Calculated Property
ΔfH°gas	-1084.48	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	90.78	kJ/mol	Joback Calculated Property
ΔvapH°	166.21	kJ/mol	Relay (1.0) Calculated Property
IE	10.22	eV	Relay (1.0) Calculated Property
log10WS	-11.19		Relay (1.0) Calculated Property
logPoct/wat	12.662		Crippen Calculated Property
McVol	511.450	ml/mol	McGowan Calculated Property
Pc	478.19	kPa	Joback Calculated Property
Inp	[3681.16; 3681.16]
Inp	3681.16		NIST
Inp	3681.16		NIST
Tboil	688.91	K	Relay (1.0) Calculated Property
Tc	871.35	K	Relay (1.0) Calculated Property
Tfus	331.33	K	Relay (1.0) Calculated Property
Vc	2.013	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1874.46; 2023.04]	J/mol×K	[1058.62; 1361.81]
Cp,gas	1874.46	J/mol×K	1058.62	Joback Calculated Property
Cp,gas	1906.33	J/mol×K	1109.15	Joback Calculated Property
Cp,gas	1935.00	J/mol×K	1159.68	Joback Calculated Property
Cp,gas	1960.73	J/mol×K	1210.21	Joback Calculated Property
Cp,gas	1983.81	J/mol×K	1260.74	Joback Calculated Property
Cp,gas	2004.49	J/mol×K	1311.28	Joback Calculated Property
Cp,gas	2023.04	J/mol×K	1361.81	Joback Calculated Property
η	[0.0000065; 0.0002958]	Pa×s	[526.54; 1058.62]
η	0.0002958	Pa×s	526.54	Joback Calculated Property
η	0.0000991	Pa×s	615.22	Joback Calculated Property
η	0.0000437	Pa×s	703.90	Joback Calculated Property
η	0.0000232	Pa×s	792.58	Joback Calculated Property
η	0.0000139	Pa×s	881.26	Joback Calculated Property
η	0.0000092	Pa×s	969.94	Joback Calculated Property
η	0.0000065	Pa×s	1058.62	Joback Calculated Property

Similar Compounds

Find more compounds similar to propyl dotriacontanoate.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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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