Chemical Properties of 1-Heptacosanol (CAS 2004-39-9)

InChI

InChI=1S/C27H56O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28/h28H,2-27H2,1H3

InChI Key

ULCZGKYHRYJXAU-UHFFFAOYSA-N

Formula

C27H56O

SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCO

Molecular Weight¹

396.73

CAS

2004-39-9

Other Names

• Heptacosan-1-ol
• Heptacosanol

• ω : Acentric Factor.
• 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).
• 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).
• 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
ω	1.3776		Relay (1.0) Calculated Property
ΔfG°	39.64	kJ/mol	Joback Calculated Property
ΔfH°gas	-765.87	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	69.77	kJ/mol	Joback Calculated Property
ΔvapH°	165.78	kJ/mol	Relay (1.0) Calculated Property
IE	10.37	eV	Relay (1.0) Calculated Property
log10WS	-9.48		Relay (1.0) Calculated Property
logPoct/wat	9.751		Crippen Calculated Property
McVol	397.160	ml/mol	McGowan Calculated Property
Pc	723.40	kPa	Joback Calculated Property
Inp	[432.80; 3016.00]
Inp	3016.00		NIST
Inp	432.80		NIST
Tboil	655.82	K	Relay (1.0) Calculated Property
Tc	838.53	K	Relay (1.0) Calculated Property
Tfus	354.40	K	Relay (1.0) Calculated Property
Vc	1.576	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1371.02; 1500.63]	J/mol×K	[909.34; 1126.29]
Cp,gas	1371.02	J/mol×K	909.34	Joback Calculated Property
Cp,gas	1396.03	J/mol×K	945.50	Joback Calculated Property
Cp,gas	1419.56	J/mol×K	981.66	Joback Calculated Property
Cp,gas	1441.69	J/mol×K	1017.81	Joback Calculated Property
Cp,gas	1462.52	J/mol×K	1053.97	Joback Calculated Property
Cp,gas	1482.14	J/mol×K	1090.13	Joback Calculated Property
Cp,gas	1500.63	J/mol×K	1126.29	Joback Calculated Property
η	[0.0000053; 0.0008114]	Pa×s	[454.87; 909.34]
η	0.0008114	Pa×s	454.87	Joback Calculated Property
η	0.0001932	Pa×s	530.62	Joback Calculated Property
η	0.0000659	Pa×s	606.36	Joback Calculated Property
η	0.0000285	Pa×s	682.11	Joback Calculated Property
η	0.0000146	Pa×s	757.85	Joback Calculated Property
η	0.0000084	Pa×s	833.60	Joback Calculated Property
η	0.0000053	Pa×s	909.34	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[543.12; 768.29]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.44305e+01
Coefficient B			-5.78046e+03
Coefficient C			-1.34402e+02
Temperature range, min.			543.12
Temperature range, max.			768.29
Pvap	1.33	kPa	543.12	Calculated Property
Pvap	3.01	kPa	568.14	Calculated Property
Pvap	6.24	kPa	593.16	Calculated Property
Pvap	11.96	kPa	618.18	Calculated Property
Pvap	21.53	kPa	643.20	Calculated Property
Pvap	36.67	kPa	668.21	Calculated Property
Pvap	59.54	kPa	693.23	Calculated Property
Pvap	92.75	kPa	718.25	Calculated Property
Pvap	139.31	kPa	743.27	Calculated Property
Pvap	202.64	kPa	768.29	Calculated Property

Similar Compounds

Find more compounds similar to 1-Heptacosanol.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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