Chemical Properties of 1,15-Pentadecanediol (CAS 14722-40-8)

InChI

InChI=1S/C15H32O2/c16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17/h16-17H,1-15H2

InChI Key

ZBPYFGWSQQFVCJ-UHFFFAOYSA-N

Formula

C15H32O2

SMILES

OCCCCCCCCCCCCCCCO

Molecular Weight¹

244.42

CAS

14722-40-8

• 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_fusH : Enthalpy of fusion at a given temperature (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).
• 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	1.1070		Relay (1.0) Calculated Property
ΔfG°	-198.22	kJ/mol	Joback Calculated Property
ΔfH°gas	-638.57	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	42.78	kJ/mol	Joback Calculated Property
ΔvapH°	138.17	kJ/mol	Relay (1.0) Calculated Property
IE	9.94	eV	Relay (1.0) Calculated Property
log10WS	-5.25		Relay (1.0) Calculated Property
logPoct/wat	4.042		Crippen Calculated Property
McVol	233.950	ml/mol	McGowan Calculated Property
Pc	1633.81	kPa	Joback Calculated Property
Tboil	600.10	K	Relay (1.0) Calculated Property
Tc	805.54	K	Relay (1.0) Calculated Property
Tfus	[359.90; 361.20]	K
Tfus	361.20	K	Thermodynamics of fusion and sublimation for a homologous series of eleven alkane-.alpha.,.omega.-diols HO-(CH2)n-OH: Structure-related odd even effect
Tfus	359.90 ± 1.50	K	NIST
Vc	0.915	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[348.69; 830.53]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-1.65000e-01
Coefficient B			1.49680e+00
Coefficient C			-8.53000e-04
Coefficient D			1.86900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	348.69	J/mol×K	273.00	Calculated Property
Cp,gas	430.88	J/mol×K	353.78	Calculated Property
Cp,gas	504.54	J/mol×K	434.56	Calculated Property
Cp,gas	570.23	J/mol×K	515.33	Calculated Property
Cp,gas	628.57	J/mol×K	596.11	Calculated Property
Cp,gas	680.14	J/mol×K	676.89	Calculated Property
Cp,gas	725.53	J/mol×K	757.67	Calculated Property
Cp,gas	765.33	J/mol×K	838.44	Calculated Property
Cp,gas	800.14	J/mol×K	919.22	Calculated Property
Cp,gas	830.53	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0112764; 0.0000263]	Pa×s	[360.55; 625.15]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.88021e+01
Coefficient B			5.16202e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			360.55
Temperature range, max.			625.15
η	0.0112764	Pa×s	360.55	Calculated Property
η	0.0038316	Pa×s	389.95	Calculated Property
η	0.0015147	Pa×s	419.35	Calculated Property
η	0.0006762	Pa×s	448.75	Calculated Property
η	0.0003334	Pa×s	478.15	Calculated Property
η	0.0001784	Pa×s	507.55	Calculated Property
η	0.0001022	Pa×s	536.95	Calculated Property
η	0.0000621	Pa×s	566.35	Calculated Property
η	0.0000396	Pa×s	595.75	Calculated Property
η	0.0000263	Pa×s	625.15	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[500.72; 591.42]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			2.64185e+01
Coefficient B			-9.95723e+03
Coefficient C			-1.19668e+02
Temperature range, min.			500.72
Temperature range, max.			591.42
Pvap	1.33	kPa	500.72	Calculated Property
Pvap	2.61	kPa	510.80	Calculated Property
Pvap	4.95	kPa	520.88	Calculated Property
Pvap	9.10	kPa	530.95	Calculated Property
Pvap	16.24	kPa	541.03	Calculated Property
Pvap	28.20	kPa	551.11	Calculated Property
Pvap	47.76	kPa	561.19	Calculated Property
Pvap	79.01	kPa	571.26	Calculated Property
Pvap	127.85	kPa	581.34	Calculated Property
Pvap	202.67	kPa	591.42	Calculated Property

Similar Compounds

Find more compounds similar to 1,15-Pentadecanediol.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Thermodynamics of fusion and sublimation for a homologous series of eleven alkane-.alpha.,.omega.-diols HO-(CH2)n-OH: Structure-related odd even effect
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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