Chemical Properties of Octadecyl formate (CAS 5451-75-2)

InChI

InChI=1S/C19H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19-20/h19H,2-18H2,1H3

InChI Key

NOPZJEGEHWRZSE-UHFFFAOYSA-N

Formula

C19H38O2

SMILES

CCCCCCCCCCCCCCCCCCOC=O

Molecular Weight¹

298.50

CAS

5451-75-2

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• P_vap : Vapor 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°	-95.42	kJ/mol	Joback Calculated Property
ΔfH°gas	-653.29	kJ/mol	Joback Calculated Property
ΔfusH°	48.44	kJ/mol	Joback Calculated Property
ΔvapH°	67.02	kJ/mol	Joback Calculated Property
log10WS	-6.64		Crippen Calculated Property
logPoct/wat	6.421		Crippen Calculated Property
McVol	286.010	ml/mol	McGowan Calculated Property
Pc	1122.31	kPa	Joback Calculated Property
Inp	[2118.00; 2118.00]
Inp	2118.00		NIST
Inp	2118.00		NIST
Tboil	705.20	K	Joback Calculated Property
Tc	872.48	K	Joback Calculated Property
Tfus	368.12	K	Joback Calculated Property
Vc	1.135	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[847.46; 949.37]	J/mol×K	[705.20; 872.48]
Cp,gas	847.46	J/mol×K	705.20	Joback Calculated Property
Cp,gas	866.49	J/mol×K	733.08	Joback Calculated Property
Cp,gas	884.68	J/mol×K	760.96	Joback Calculated Property
Cp,gas	902.04	J/mol×K	788.84	Joback Calculated Property
Cp,gas	918.59	J/mol×K	816.72	Joback Calculated Property
Cp,gas	934.36	J/mol×K	844.60	Joback Calculated Property
Cp,gas	949.37	J/mol×K	872.48	Joback Calculated Property
η	[0.0000932; 0.0021420]	Pa×s	[368.12; 705.20]
η	0.0021420	Pa×s	368.12	Joback Calculated Property
η	0.0008989	Pa×s	424.30	Joback Calculated Property
η	0.0004621	Pa×s	480.48	Joback Calculated Property
η	0.0002731	Pa×s	536.66	Joback Calculated Property
η	0.0001783	Pa×s	592.84	Joback Calculated Property
η	0.0001253	Pa×s	649.02	Joback Calculated Property
η	0.0000932	Pa×s	705.20	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.62]	kPa	[533.72; 628.77]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			2.64610e+01
Coefficient B			-1.04734e+04
Coefficient C			-1.33568e+02
Temperature range, min.			533.72
Temperature range, max.			628.77
Pvap	1.33	kPa	533.72	Calculated Property
Pvap	2.61	kPa	544.28	Calculated Property
Pvap	4.95	kPa	554.84	Calculated Property
Pvap	9.10	kPa	565.40	Calculated Property
Pvap	16.23	kPa	575.96	Calculated Property
Pvap	28.19	kPa	586.53	Calculated Property
Pvap	47.74	kPa	597.09	Calculated Property
Pvap	78.97	kPa	607.65	Calculated Property
Pvap	127.80	kPa	618.21	Calculated Property
Pvap	202.62	kPa	628.77	Calculated Property

Similar Compounds

Find more compounds similar to Octadecyl formate.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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